Geometry & MOs

Info

ID:	409394
PubChem CID:	135082175
Reduced:	SN2O4C6H8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	314.064651
ΔH_f, kcal/mol:	-163.72
Dipole, Da:	4.35
IP(EA), eV:	-10.13(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-[(2R)-2-sulfanylpropyl] 2-O-[(2S)-2-sulfanylpropyl] benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C1CN(C(=S)N(C1)C(=O)O)C(=O)O

DOS

IR

Vibrations