Geometry & MOs

Info

ID:	26364
PubChem CID:	645408
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-55.48
Dipole, Da:	3.77
IP(EA), eV:	-8.66(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-(benzotriazol-1-yl)propanoylamino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CN3C4=CC=CC=C4N=N3

DOS

IR

Vibrations