Geometry & MOs

Info

ID:	234066
PubChem CID:	92297649
Reduced:	ClSO5H9C13 (1)
Stoich.:	ABC5D9E13 (1)
Weight, g/mol:	294.019809
ΔH_f, kcal/mol:	-158.96
Dipole, Da:	3.35
IP(EA), eV:	-9.56(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)Cl

DOS

IR

Vibrations