Geometry & MOs

Info

ID:

299146

PubChem CID:

117672809

Reduced:

N2S3O9C34H43 (1)

Stoich.:

A2B3C9D34E43 (1)

Weight, g/mol:

1120.59068

ΔHf, kcal/mol:

-346.7

Dipole, Da:

6.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.880392

Charge, e:

 0

Chem-info

IUPAC name:

1-N,6-N-bis(4-tert-butylphenyl)-1-N,6-N-bis[6-(2-ethylphenyl)dibenzofuran-4-yl]-3,8-di(propan-2-yl)pyrene-1,6-diamine

Drug info:

PubChemData

Smile

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)C3=CC(=CC=C3)S(=O)(=O)O)CCCCCC4=[N+](C5=CC=CC=C5C4(C)C)CCCS(=O)(=O)O)C

DOS

IR

Vibrations