Geometry & MOs

Info

ID:	57223
PubChem CID:	22395503
Reduced:	SO5C8H10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	223.006992
ΔH_f, kcal/mol:	-175.1
Dipole, Da:	8.15
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-chloro-3-methylcyclohexa-1,4-diene-1-sulfonic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)S(=O)(=O)O)OC

DOS

IR

Vibrations