Geometry & MOs

Info

ID:	24597
PubChem CID:	611252
Reduced:	S2O5C12H14 (1)
Stoich.:	A2B5C12D14 (1)
Weight, g/mol:	302.028266
ΔH_f, kcal/mol:	-146.53
Dipole, Da:	0.83
IP(EA), eV:	-8.93(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,5-trimethoxybenzenecarbothioyl)sulfanylacetic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=S)SCC(=O)O

DOS

IR

Vibrations