Geometry & MOs

Info

ID:	266600
PubChem CID:	103574406
Reduced:	NaSO4C10H11 (1)
Stoich.:	ABC4D10E11 (1)
Weight, g/mol:	256.07693
ΔH_f, kcal/mol:	-208.32
Dipole, Da:	9.13
IP(EA), eV:	-9.16(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-2-phenylcyclohexane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(CCC2(O)S(=O)(=O)[O-])C=C1.[Na+]

DOS

IR

Vibrations