Geometry & MOs

Info

ID:	41548
PubChem CID:	8146244
Reduced:	N2S2O4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	360.104482
ΔH_f, kcal/mol:	-130.63
Dipole, Da:	2.84
IP(EA), eV:	-9.02(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-N-(2-phenylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations