Geometry & MOs

Info

ID:	298214
PubChem CID:	117648059
Reduced:	SH32C43 (1)
Stoich.:	AB32C43 (1)
Weight, g/mol:	594.238122
ΔH_f, kcal/mol:	128.47
Dipole, Da:	1.0
IP(EA), eV:	-8.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,7,7-tetramethyl-9-[10-(4-methylphenyl)anthracen-9-yl]fluoreno[4,3-b][1]benzothiole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC6=C(C=C5)C7=C(C6(C)C)C=CC8=C7SC9=C8C=CC(=C9)C

DOS

IR

Vibrations