Geometry & MOs

Info

ID:	298224
PubChem CID:	117648079
Reduced:	NSH33C45 (1)
Stoich.:	ABC33D45 (1)
Weight, g/mol:	630.238122
ΔH_f, kcal/mol:	151.33
Dipole, Da:	6.69
IP(EA), eV:	-8.2(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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=C(C8=C7SC9=C8C=CC(=C9)C#N)C)C

DOS

IR

Vibrations