Geometry & MOs

Info

ID:	397594
PubChem CID:	135030436
Reduced:	SO4H12C20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	542.116293
ΔH_f, kcal/mol:	-65.59
Dipole, Da:	2.33
IP(EA), eV:	-9.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(10-benzo[f][1]benzothiol-2-ylanthracen-9-yl)benzo[f][1]benzothiole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(S3)C4C5=CC=CC=C5C(=O)O4

DOS

IR

Vibrations