Geometry & MOs

Info

ID:	138839
PubChem CID:	52433109
Reduced:	ClN2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	440.080681
ΔH_f, kcal/mol:	-36.93
Dipole, Da:	3.08
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]-2-methoxyacetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=O)[C@@H](C4=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations