Geometry & MOs

Info

ID:	298237
PubChem CID:	117648104
Reduced:	SH30C45 (1)
Stoich.:	AB30C45 (1)
Weight, g/mol:	724.222472
ΔH_f, kcal/mol:	157.34
Dipole, Da:	1.57
IP(EA), eV:	-8.29(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9'-(12-phenylchrysen-6-yl)spiro[fluorene-9,7'-fluoreno[4,3-b][1]benzothiole]

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C1C=C(C=C3)C4=CC5=C(C=C(C6=CC=CC=C65)C7=CC=CC=C7)C8=CC=CC=C84)C9=C(C=C2)C1=CC=CC=C1S9)C

DOS

IR

Vibrations