Geometry & MOs

Info

ID:

327221

PubChem CID:

126689258

Reduced:

F3N4O4C31H31 (1)

Stoich.:

A3B4C4D31E31 (1)

Weight, g/mol:

488.203525

ΔHf, kcal/mol:

-219.8

Dipole, Da:

3.02

IP(EA), eV:

 -9.05(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-[(2S)-2-fluoro-3-hydroxy-2-methylpropyl]-5-[(3R)-1-methyl-2-oxopiperidin-3-yl]benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CN1C2=C(C=C(C=C2)C3C(=O)N(CCO3)C)N=C1NC(=O)C4=CC=CC(=C4)C(F)F)(COCC5=CC=CC=C5)F

DOS

IR

Vibrations