Geometry & MOs

Info

ID:	309558
PubChem CID:	126548468
Reduced:	ClSN2O5C33H43 (1)
Stoich.:	ABC2D5E33F43 (1)
Weight, g/mol:	642.289422
ΔH_f, kcal/mol:	-170.5
Dipole, Da:	9.56
IP(EA), eV:	-8.01(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19R,20R,22R,23S,24E,27R)-10-chloro-23-hydroxy-20,27-dimethyl-28-(2-methylpropyl)-29,29-dioxo-5-oxa-29lambda6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-31-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@@H]1[C@H](C/C=C/[C@@H]([C@@H]2CC[C@H]2CN3CCCCC4=C(COC5=C3C=C(C=C5)C(=O)NS1(=O)=O)C=CC(=C4)Cl)OC)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@@H]1[C@H](C/C=C/[C@@H]([C@@H]2CC[C@H]2CN3CCCCC4=C(COC5=C3C=C(C=C5)C(=O)NS1(=O)=O)C=CC(=C4)Cl)OC)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):