Geometry & MOs

Info

ID:	6940
PubChem CID:	70572
Reduced:	S2O4C13H16 (1)
Stoich.:	A2B4C13D16 (1)
Weight, g/mol:	300.049001
ΔH_f, kcal/mol:	-163.6
Dipole, Da:	4.79
IP(EA), eV:	-9.06(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-carboxyethylsulfanyl(phenyl)methyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(SCCC(=O)O)SCCC(=O)O

DOS

IR

Vibrations