Geometry & MOs

Info

ID:	49453
PubChem CID:	11533043
Reduced:	NOSCl3H20C24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	476.068544
ΔH_f, kcal/mol:	14.23
Dipole, Da:	3.82
IP(EA), eV:	-8.88(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(6-methylsulfanyl-1H-benzimidazol-2-yl)phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(CC(=O)C(C1C2=CC=CC=C2Cl)SC3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl

DOS

IR

Vibrations