Geometry & MOs

Info

ID:	298219
PubChem CID:	117648071
Reduced:	SH30C42 (1)
Stoich.:	AB30C42 (1)
Weight, g/mol:	602.206822
ΔH_f, kcal/mol:	140.3
Dipole, Da:	2.37
IP(EA), eV:	-8.12(-0.96)
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

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C2(C)C)C=C(C=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC=CC=C7)C8=C1C9=CC=CC=C9S8

DOS

IR

Vibrations