Geometry & MOs

Info

ID:	56614
PubChem CID:	17487189
Reduced:	Cl2O3N4H16C20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	454.068881
ΔH_f, kcal/mol:	-54.95
Dipole, Da:	4.96
IP(EA), eV:	-9.46(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[4-[(1-prop-2-enylbenzimidazol-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3C=NC4=C(C3=O)C=C(C=C4Cl)Cl

DOS

IR

Vibrations