Geometry & MOs

Info

ID:	36314
PubChem CID:	8001568
Reduced:	OS3N5C16H17 (1)
Stoich.:	AB3C5D16E17 (1)
Weight, g/mol:	352.105922
ΔH_f, kcal/mol:	82.25
Dipole, Da:	6.3
IP(EA), eV:	-8.9(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3S)-1-(3-acetylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCSC1=NN=C(S1)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C

DOS

IR

Vibrations