Geometry & MOs

Info

ID:	327235
PubChem CID:	126689302
Reduced:	FO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	456.197297
ΔH_f, kcal/mol:	-103.55
Dipole, Da:	5.53
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CN1C2=C(C=C(C=C2)C3C(=O)N(CCO3)C)N=C1N)(COCC4=CC=CC=C4)F

DOS

IR

Vibrations