Geometry & MOs

Info

ID:

17561

PubChem CID:

504841

Reduced:

N3O8H23C25 (1)

Stoich.:

A3B8C23D25 (1)

Weight, g/mol:

493.148515

ΔHf, kcal/mol:

-237.94

Dipole, Da:

4.41

IP(EA), eV:

 -8.71(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(3,4-dihydroxyphenyl)-N-[(2S)-3-(3,4-dihydroxyphenyl)-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=CC(=C(C=C2)O)O)NC(=O)C=CC3=CC(=C(C=C3)O)O)O

DOS

IR

Vibrations