Geometry & MOs

Info

ID:	327251
PubChem CID:	126689340
Reduced:	F3O3N4C23H23 (1)
Stoich.:	A3B3C4D23E23 (1)
Weight, g/mol:	488.203525
ΔH_f, kcal/mol:	-221.87
Dipole, Da:	5.75
IP(EA), eV:	-9.03(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(CC1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations