Geometry & MOs

Info

ID:	298220
PubChem CID:	117648072
Reduced:	SH30C45 (1)
Stoich.:	AB30C45 (1)
Weight, g/mol:	642.238122
ΔH_f, kcal/mol:	164.98
Dipole, Da:	1.84
IP(EA), eV:	-8.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7,7-trimethyl-9-[10-(4-phenylphenyl)anthracen-9-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=CC8=CC=CC=C87)C9=C(C=C2)C1=CC=CC=C1S9)C

DOS

IR

Vibrations