Geometry & MOs

Info

ID:	309652
PubChem CID:	126552047
Reduced:	NS2O4H6C8 (1)
Stoich.:	AB2C4D6E8 (1)
Weight, g/mol:	804.53825
ΔH_f, kcal/mol:	-81.96
Dipole, Da:	4.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.801858
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-7-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-N,7-N-bis(4-methylphenyl)-9,9-dioctylfluorene-2,7-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC2=C1C=CS2(=O)=O)NS(=O)[O-]

DOS

IR

Vibrations