Geometry & MOs

Info

ID:	12891
PubChem CID:	147838
Reduced:	SO3H16C20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	336.082016
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	6.55
IP(EA), eV:	-8.46(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,12-dimethylbenzo[a]anthracene-3-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C=CC(=C3)S(=O)(=O)O

DOS

IR

Vibrations