Geometry & MOs

Info

ID:	372841
PubChem CID:	131305823
Reduced:	SO3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	234.035065
ΔH_f, kcal/mol:	-85.26
Dipole, Da:	8.83
IP(EA), eV:	-8.93(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(6-hydroxy-5-methyl-1-benzothiophen-3-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(S1)C(=C(C=C2)/C=C/C(=O)O)O

DOS

IR

Vibrations