Geometry & MOs

Info

ID:

181174

PubChem CID:

76715687

Reduced:

BrS2N3O6C37H42 (1)

Stoich.:

AB2C3D6E37F42 (1)

Weight, g/mol:

760.366985

ΔHf, kcal/mol:

-151.87

Dipole, Da:

1.11

IP(EA), eV:

 -9.2(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(3-fluoro-5-methylphenyl)methyl]-N-(1-methylcyclopropyl)sulfonyl-18-[1-(2-methylpropyl)benzimidazol-2-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CCC4=CC=CC=C4)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations