Geometry & MOs

Info

ID:

300790

PubChem CID:

123055010

Reduced:

Cl2N2O7H20C26 (1)

Stoich.:

A2B2C7D20E26 (1)

Weight, g/mol:

532.14818

ΔHf, kcal/mol:

-146.36

Dipole, Da:

8.65

IP(EA), eV:

 -9.36(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(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(=CC(=C3)Cl)Cl)C4=CC(=C(C=C4)O)[N+](=O)[O-])/O

DOS

IR

Vibrations