Geometry & MOs

Info

ID:	22219
PubChem CID:	596317
Reduced:	OSF3N3H12C16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	351.065318
ΔH_f, kcal/mol:	-126.17
Dipole, Da:	1.77
IP(EA), eV:	-8.99(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CSC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations