Geometry & MOs

Info

ID:	298240
PubChem CID:	117648110
Reduced:	NSH31C48 (1)
Stoich.:	ABC31D48 (1)
Weight, g/mol:	652.222472
ΔH_f, kcal/mol:	203.28
Dipole, Da:	6.12
IP(EA), eV:	-8.33(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-9-(12-naphthalen-2-ylchrysen-6-yl)fluoreno[4,3-b][1]benzothiole

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C1C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC=C(C=C7)C8=CC=CC=C8)C9=C(C=C2)C1=C(S9)C=C(C=C1)C#N)C

DOS

IR

Vibrations