Geometry & MOs

Info

ID:

449716

PubChem CID:

135300888

Reduced:

SN3C6H9 (1)

Stoich.:

AB3C6D9 (1)

Weight, g/mol:

1081.522266

ΔHf, kcal/mol:

78.05

Dipole, Da:

4.4

IP(EA), eV:

-9.34(-1.59)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-(4-dibenzofuran-4-ylphenyl)-6-[2-(2-methylphenyl)phenyl]-N-(4-phenylphenyl)nonacyclo[21.12.2.11,6.18,21.09,14.015,20.024,29.030,35.021,39]nonatriaconta-9,11,13,15,17,19,24,26,28,30(35),31,33-dodecaen-34-amine

Drug info:

PubChemData

Smile

CC1=CN(N=N1)C(C)C=S

DOS

IR

Vibrations