Geometry & MOs

Info

ID:	162656
PubChem CID:	57410964
Reduced:	ClNF2O7C10H18 (1)
Stoich.:	ABC2D7E10F18 (1)
Weight, g/mol:	668.16746
ΔH_f, kcal/mol:	-459.64
Dipole, Da:	4.55
IP(EA), eV:	-10.61(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(20R,21R,30S)-27-bromo-20-methyl-20-(4-methylpent-3-enyl)-19,23-dioxa-3,10-diazaheptacyclo[16.12.0.02,11.04,9.012,17.021,30.024,29]triaconta-1(18),2,4(9),5,7,10,12,14,16,24(29),25,27-dodecaen-6-yl]-phenylmethanone

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

C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C(C[C@@H](C(=O)O)N)(F)F)O)O)O)O.Cl

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

C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C(C[C@@H](C(=O)O)N)(F)F)O)O)O)O.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):