Geometry & MOs

Info

ID:	133492
PubChem CID:	51535507
Reduced:	ClO2S2N3H20C21 (1)
Stoich.:	AB2C2D3E20F21 (1)
Weight, g/mol:	401.156184
ΔH_f, kcal/mol:	-19.48
Dipole, Da:	6.84
IP(EA), eV:	-8.98(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-phenyl-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations