Geometry & MOs

Info

ID:	298225
PubChem CID:	117648080
Reduced:	SH34C47 (1)
Stoich.:	AB34C47 (1)
Weight, g/mol:	608.253772
ΔH_f, kcal/mol:	146.69
Dipole, Da:	2.34
IP(EA), eV:	-8.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[10-(3,5-dimethylphenyl)anthracen-9-yl]-2,4,7,7-tetramethylfluoreno[4,3-b][1]benzothiole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(S2)C4=C(C=C3C)C(C5=C4C=CC(=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=CC1=CC=CC=C19)(C)C

DOS

IR

Vibrations