Geometry & MOs

Info

ID:	372132
PubChem CID:	131293545
Reduced:	SO4C11H12 (1)
Stoich.:	AB4C11D12 (1)
Weight, g/mol:	240.04563
ΔH_f, kcal/mol:	-149.94
Dipole, Da:	5.26
IP(EA), eV:	-8.29(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-7-methoxy-2,4-dihydrothiochromene-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SCC(C2)(C(=O)O)O

DOS

IR

Vibrations