Geometry & MOs

Info

ID:

166716

PubChem CID:

74724580

Reduced:

N2O4H21C29 (1)

Stoich.:

A2B4C21D29 (1)

Weight, g/mol:

473.160714

ΔHf, kcal/mol:

-8.42

Dipole, Da:

4.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.156154

Charge, e:

 1

Chem-info

IUPAC name:

2-[1-ethyl-3-[2-[(5-nitropyridin-1-ium-2-yl)amino]ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C3C4C(C([NH+]3C=CC2=C1)C(=O)C5=CC=CO5)C(=O)N(C4=O)C6=CC=CC7=CC=CC=C76

DOS

IR

Vibrations