Geometry & MOs

Info

ID:	327239
PubChem CID:	126689316
Reduced:	FNOC6H6 (4)
Stoich.:	ABCD6E6 (4)
Weight, g/mol:	490.18279
ΔH_f, kcal/mol:	-307.18
Dipole, Da:	8.4
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3R)-3,4-dihydroxybutyl]-5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]benzimidazol-2-yl]-3-(trifluoromethyl)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)F)(CO)F

DOS

IR

Vibrations