Geometry & MOs

Info

ID:

214926

PubChem CID:

85083863

Reduced:

SN2O9H30C34 (1)

Stoich.:

AB2C9D30E34 (1)

Weight, g/mol:

642.392662

ΔHf, kcal/mol:

-254.15

Dipole, Da:

5.44

IP(EA), eV:

 -9.34(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1,5-bis(diethoxyphosphoryl)-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]pentyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

Drug info:

PubChemData

Smile

CCC(=O)CSC1=NC(=O)C=CN1C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations