Geometry & MOs

Info

ID:	26869
PubChem CID:	800611
Reduced:	ClNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	207.053158
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	3.14
IP(EA), eV:	-9.51(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-5-hydroxy-3-oxo-1,2-dihydroisoindol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)C2CCCC2

DOS

IR

Vibrations