Geometry & MOs

Info

ID:	338810
PubChem CID:	127259821
Reduced:	ClNSO2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	295.084458
ΔH_f, kcal/mol:	-54.15
Dipole, Da:	1.99
IP(EA), eV:	-8.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-formyl-1-oxo-3H-isoindol-4-yl)phenyl]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)OCNCC(C2=CC=CS2)Cl

DOS

IR

Vibrations