Geometry & MOs

Info

ID:	19112
PubChem CID:	554967
Reduced:	SN2O5H12C13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	308.046693
ΔH_f, kcal/mol:	-139.92
Dipole, Da:	7.23
IP(EA), eV:	-9.41(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-dioxoisoindol-2-yl)amino]-3-(2-oxoethylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N(C2=O)NC(CSCC=O)C(=O)O

DOS

IR

Vibrations