Geometry & MOs

Info

ID:	175021
PubChem CID:	75846388
Reduced:	ClSN3O3C20H20 (1)
Stoich.:	ABC3D3E20F20 (1)
Weight, g/mol:	406.119654
ΔH_f, kcal/mol:	-71.44
Dipole, Da:	3.57
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-2-methoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3Cl)OC

DOS

IR

Vibrations