Geometry & MOs

Info

ID:	298208
PubChem CID:	117648047
Reduced:	SH32C43 (1)
Stoich.:	AB32C43 (1)
Weight, g/mol:	622.269422
ΔH_f, kcal/mol:	129.55
Dipole, Da:	2.15
IP(EA), eV:	-8.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C2C3=C(C4=C(C=C3)C(C5=C4C=CC(=C5)C6=C7C=CC=CC7=C(C8=CC=CC=C86)C9=CC=CC=C9)(C)C)SC2=C1)C

DOS

IR

Vibrations