Geometry & MOs

Info

ID:	327276
PubChem CID:	126689389
Reduced:	F3N4O4C24H25 (1)
Stoich.:	A3B4C4D24E25 (1)
Weight, g/mol:	488.203525
ΔH_f, kcal/mol:	-267.56
Dipole, Da:	3.0
IP(EA), eV:	-9.04(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCC(CO)O

DOS

IR

Vibrations