Geometry & MOs

Info

ID:	372839
PubChem CID:	131305820
Reduced:	SO3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	234.035065
ΔH_f, kcal/mol:	-81.24
Dipole, Da:	4.05
IP(EA), eV:	-8.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(7-hydroxy-4-methyl-1-benzothiophen-2-yl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CSC2=C(C=CC(=C12)/C=C/C(=O)O)O

DOS

IR

Vibrations