Geometry & MOs

Info

ID:

17562

PubChem CID:

504845

Reduced:

N7O10H23C28 (1)

Stoich.:

A7B10C23D28 (1)

Weight, g/mol:

617.15064

ΔHf, kcal/mol:

-113.02

Dipole, Da:

4.54

IP(EA), eV:

 -9.05(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenyl)-N-[(2S)-3-[3-(2,4-dinitrophenyl)imidazol-4-yl]-1-[2-(2-hydroxybenzoyl)hydrazinyl]-1-oxopropan-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NNC(=O)[C@H](CC2=CN=CN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C=CC4=CC(=C(C=C4)O)O)O

DOS

IR

Vibrations