Geometry & MOs

Info

ID:	327229
PubChem CID:	126689293
Reduced:	F3O3N5H20C23 (1)
Stoich.:	A3B3C5D20E23 (1)
Weight, g/mol:	504.19844
ΔH_f, kcal/mol:	-185.97
Dipole, Da:	2.33
IP(EA), eV:	-8.77(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=NC=C(C1=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)CCCO

DOS

IR

Vibrations