Geometry & MOs

Info

ID:	427509
PubChem CID:	135159473
Reduced:	NSH19C26 (1)
Stoich.:	ABC19D26 (1)
Weight, g/mol:	662.293328
ΔH_f, kcal/mol:	113.97
Dipole, Da:	2.87
IP(EA), eV:	-8.26(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-phenyl-2-[3-(1H-pyrrol-2-yl)spiro[3,4-dihydroxanthene-9,9'-xanthene]-2'-yl]-3,4,4a,5,6,9a-hexahydrocarbazole

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)N(C3=CC=C(C=C3)S)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations