Geometry & MOs

Info

ID:	264871
PubChem CID:	103499570
Reduced:	NSO4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-164.35
Dipole, Da:	10.05
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1C(C(=O)N(C1=O)C2=CC(=C(S2)C(=O)O)C)C

DOS

IR

Vibrations