Geometry & MOs

Info

ID:	327244
PubChem CID:	126689325
Reduced:	F3O3N4C25H27 (1)
Stoich.:	A3B3C4D25E27 (1)
Weight, g/mol:	490.18279
ΔH_f, kcal/mol:	-235.44
Dipole, Da:	7.5
IP(EA), eV:	-9.0(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations