Geometry & MOs

Info

ID:	309557
PubChem CID:	126548377
Reduced:	F6O8C29H46 (1)
Stoich.:	A6B8C29D46 (1)
Weight, g/mol:	614.258121
ΔH_f, kcal/mol:	-742.15
Dipole, Da:	4.85
IP(EA), eV:	-10.68(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19R,22R,23S,24E,27S,28R)-10-chloro-28-ethyl-23-methoxy-27-methyl-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)(C)CC(C)(C(=O)OCC(=O)OCC(F)(F)F)C(C)(C)C(C)(C)CC(C(=O)OCC(=O)OCC(F)(F)F)C(C)(C)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)(C)CC(C)(C(=O)OCC(=O)OCC(F)(F)F)C(C)(C)C(C)(C)CC(C(=O)OCC(=O)OCC(F)(F)F)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):