Geometry & MOs

Info

ID:	318741
PubChem CID:	126653005
Reduced:	NOH29C50 (1)
Stoich.:	ABC29D50 (1)
Weight, g/mol:	724.222472
ΔH_f, kcal/mol:	211.92
Dipole, Da:	1.61
IP(EA), eV:	-8.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C(C4=CC=CC=C43)C5=CC6=C(C=C5)C7=C(C68C9=CC=CC=C9C1=C8C3=CC=CC=C3O1)C=CC=N7)C1=CC=CC=C12

DOS

IR

Vibrations