Geometry & MOs

Info

ID:

300793

PubChem CID:

123055021

Reduced:

NO4H13C14 (2)

Stoich.:

AB4C13D14 (2)

Weight, g/mol:

532.14818

ΔHf, kcal/mol:

-179.86

Dipole, Da:

6.92

IP(EA), eV:

 -8.52(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(3Z)-2-(4-hydroxy-3-nitrophenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)O)[N+](=O)[O-]

DOS

IR

Vibrations