Geometry & MOs

Info

ID:	53729
PubChem CID:	14717819
Reduced:	N2S2O7H26C27 (1)
Stoich.:	A2B2C7D26E27 (1)
Weight, g/mol:	353.07555
ΔH_f, kcal/mol:	-221.92
Dipole, Da:	4.9
IP(EA), eV:	-8.64(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[1-(2-carboxyethylsulfanyl)isoindol-2-yl]-3-methyl-3-sulfanylbutanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations