Geometry & MOs

Info

ID:	298227
PubChem CID:	117648084
Reduced:	NSH29C43 (1)
Stoich.:	ABC29D43 (1)
Weight, g/mol:	627.202071
ΔH_f, kcal/mol:	170.37
Dipole, Da:	6.62
IP(EA), eV:	-8.26(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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#N

DOS

IR

Vibrations