Geometry & MOs

Info

ID:

181085

PubChem CID:

76715597

Reduced:

SN3O9C36H47 (1)

Stoich.:

AB3C9D36E47 (1)

Weight, g/mol:

786.307419

ΔHf, kcal/mol:

-322.4

Dipole, Da:

9.61

IP(EA), eV:

 -9.33(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1-ethylbenzimidazol-2-yl)oxy-14-[[3-fluoro-5-(trifluoromethyl)phenyl]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=C2C(=CC=C1)OC(=N2)OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations