Geometry & MOs

Info

ID:	327218
PubChem CID:	126689248
Reduced:	O2F3N4C25H25 (1)
Stoich.:	A2B3C4D25E25 (1)
Weight, g/mol:	456.197297
ΔH_f, kcal/mol:	-162.77
Dipole, Da:	3.24
IP(EA), eV:	-8.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[5-[(2S)-1,2-dimethyl-5-oxopyrrolidin-2-yl]-1-(3-hydroxypropyl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCCC(C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCC=C

DOS

IR

Vibrations