Geometry & MOs

Info

ID:	439883
PubChem CID:	135229739
Reduced:	ISO2N3H8C9 (1)
Stoich.:	ABC2D3E8F9 (1)
Weight, g/mol:	781.243936
ΔH_f, kcal/mol:	16.75
Dipole, Da:	5.86
IP(EA), eV:	-9.56(-3.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-dibenzothiophen-2-yl-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NS(=O)(=O)C2=CN(N=C2)I

DOS

IR

Vibrations