Geometry & MOs

Info

ID:	31301
PubChem CID:	855545
Reduced:	ClSN2O2H13C17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	296.09094
ΔH_f, kcal/mol:	-10.32
Dipole, Da:	2.72
IP(EA), eV:	-9.1(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoic acid

Drug info:

PubChemData

Smile

COC(=O)CSC1=NC(=NC2=C1C=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations