Geometry & MOs

Info

ID:

181060

PubChem CID:

76715572

Reduced:

FS2N5O7C45H52 (1)

Stoich.:

AB2C5D7E45F52 (1)

Weight, g/mol:

774.382635

ΔHf, kcal/mol:

-217.53

Dipole, Da:

6.81

IP(EA), eV:

 -8.5(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)NC6=CC(=CC=C6)F)C(=O)NS(=O)(=O)C7CC7)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations