Geometry & MOs

Info

ID:	318737
PubChem CID:	126652987
Reduced:	NOH27C46 (1)
Stoich.:	ABC27D46 (1)
Weight, g/mol:	674.206822
ΔH_f, kcal/mol:	202.4
Dipole, Da:	2.9
IP(EA), eV:	-8.31(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(12-phenylchrysen-6-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CN=CC=C4)C5=CC6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9C1=C8C2=CC=CC=C2O1

DOS

IR

Vibrations