Geometry & MOs

Info

ID:

47353

PubChem CID:

10531814

Reduced:

S2N5O6C29H33 (1)

Stoich.:

A2B5C6D29E33 (1)

Weight, g/mol:

612.371579

ΔHf, kcal/mol:

-91.11

Dipole, Da:

2.27

IP(EA), eV:

 -9.17(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[(E)-[3-oxo-4-[2-(4-phenylphenyl)ethyl]heptan-2-ylidene]hydrazinylidene]-4-[2-(4-phenylphenyl)ethyl]heptan-3-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)C2=CC(=C(C=C2)NNC(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations