Geometry & MOs

Info

ID:

148701

PubChem CID:

53788370

Reduced:

SO3H11C13 (1)

Stoich.:

AB3C11D13 (1)

Weight, g/mol:

248.050715

ΔHf, kcal/mol:

-59.1

Dipole, Da:

5.93

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.763586

Charge, e:

 0

Chem-info

IUPAC name:

3-(4-hydroxyphenyl)-4-methylbenzenesulfinic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)[O-])C2=CC=C(C=C2)O

DOS

IR

Vibrations