Geometry & MOs

Info

ID:	12892
PubChem CID:	147846
Reduced:	SO3H16C20 (1)
Stoich.:	AB3C16D20 (1)
Weight, g/mol:	336.082016
ΔH_f, kcal/mol:	-55.33
Dipole, Da:	5.21
IP(EA), eV:	-8.42(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,12-dimethylbenzo[a]anthracene-11-sulfonic acid

Drug info:

PubChemData

Smile

CC1=C2C=CC=C(C2=C(C3=C1C=CC4=CC=CC=C43)C)S(=O)(=O)O

DOS

IR

Vibrations