Geometry & MOs

Info

ID:	60854
PubChem CID:	26702676
Reduced:	ClSN2O5H19C22 (1)
Stoich.:	ABC2D5E19F22 (1)
Weight, g/mol:	353.12766
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	2.97
IP(EA), eV:	-8.78(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-(4-cyanophenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)NC)Cl

DOS

IR

Vibrations