Geometry & MOs

Info

ID:	326818
PubChem CID:	126688282
Reduced:	F3N4O5C24H25 (1)
Stoich.:	A3B4C5D24E25 (1)
Weight, g/mol:	485.223846
ΔH_f, kcal/mol:	-291.73
Dipole, Da:	4.57
IP(EA), eV:	-9.1(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(3-hydroxypropyl)-5-(2-oxo-4-propan-2-ylpiperazin-1-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C[C@H](CCO)N1C2=CC(=C(C=C2N=C1NC(=O)C3=CC(=CC=C3)C(F)(F)F)N4CCOCC4=O)OC

DOS

IR

Vibrations