Geometry & MOs

Info

ID:	37934
PubChem CID:	8025623
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	346.06551
ΔH_f, kcal/mol:	-145.49
Dipole, Da:	5.76
IP(EA), eV:	-8.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2)OC

DOS

IR

Vibrations