Geometry & MOs

Info

ID:

311582

PubChem CID:

126594060

Reduced:

ISN2O3C9H15 (1)

Stoich.:

ABC2D3E9F15 (1)

Weight, g/mol:

1145.018596

ΔHf, kcal/mol:

-92.89

Dipole, Da:

3.5

IP(EA), eV:

 -9.52(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4,9,14-tris(2,6-dichloro-4-cyanophenyl)-8,13-bis(4-prop-2-enoyloxyphenyl)-3,5,8,10,13,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,14-hexaen-3-yl]phenyl] prop-2-enoate

Drug info:

PubChemData

Smile

C1CN(CC=C1I)S(=O)(=O)N2CCOCC2

DOS

IR

Vibrations