Geometry & MOs

Info

ID:

134392

PubChem CID:

51689594

Reduced:

N2O5C27H28 (1)

Stoich.:

A2B5C27D28 (1)

Weight, g/mol:

494.135698

ΔHf, kcal/mol:

-159.91

Dipole, Da:

6.55

IP(EA), eV:

 -8.97(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[2-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]ethylamino]-5-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)[C@@H](C(=C(N2)C)C(=O)OCC)C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations