Geometry & MOs

Info

ID:

300791

PubChem CID:

123055013

Reduced:

N2O9H24C28 (1)

Stoich.:

A2B9C24D28 (1)

Weight, g/mol:

532.14818

ΔHf, kcal/mol:

-212.22

Dipole, Da:

9.95

IP(EA), eV:

 -9.26(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(3Z)-2-(4-hydroxy-3-nitrophenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)C(=O)OC)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations