Geometry & MOs

Info

ID:	318746
PubChem CID:	126653021
Reduced:	BrNSH14C26 (1)
Stoich.:	ABCD14E26 (1)
Weight, g/mol:	700.222472
ΔH_f, kcal/mol:	145.6
Dipole, Da:	2.34
IP(EA), eV:	-8.61(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9-naphthalen-2-yl-10b,10c-dihydropyren-4-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C24C5=C(C6=C4C=C(C=C6)Br)N=CC=C5)C7=CC=CC=C7S3

DOS

IR

Vibrations