Geometry & MOs

Info

ID:	298226
PubChem CID:	117648083
Reduced:	SH36C45 (1)
Stoich.:	AB36C45 (1)
Weight, g/mol:	591.202071
ΔH_f, kcal/mol:	109.15
Dipole, Da:	1.57
IP(EA), eV:	-8.11(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC6=C(C=C5)C7=C(C6(C)C)C=CC8=C7SC9=CC(=CC(=C89)C)C)C

DOS

IR

Vibrations