Geometry & MOs

Info

ID:	139603
PubChem CID:	52569294
Reduced:	ON4C14H24 (1)
Stoich.:	AB4C14D24 (1)
Weight, g/mol:	347.029539
ΔH_f, kcal/mol:	-22.68
Dipole, Da:	2.86
IP(EA), eV:	-8.87(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC(C)[C@H](CNC1=NC=CC(=N1)OC)N2CCCC2

DOS

IR

Vibrations