Geometry & MOs

Info

ID:	53728
PubChem CID:	14717817
Reduced:	N2S2O7H24C26 (1)
Stoich.:	A2B2C7D24E26 (1)
Weight, g/mol:	554.118144
ΔH_f, kcal/mol:	-211.67
Dipole, Da:	5.21
IP(EA), eV:	-8.69(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,5-bis[1-(2-carboxyethylsulfanyl)isoindol-2-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC2=CN(C(=C2C=C1)SCCC(=O)O)[C@@H](CC(=O)N3C=C4C=CC=CC4=C3SCCC(=O)O)C(=O)O

DOS

IR

Vibrations