Geometry & MOs

Info

ID:	37912
PubChem CID:	8025523
Reduced:	OSN3H13C17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	334.038816
ΔH_f, kcal/mol:	75.06
Dipole, Da:	5.13
IP(EA), eV:	-9.08(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[(2,4-dichlorophenyl)methyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C#N)C(=O)CSC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations