Geometry & MOs

Info

ID:

300787

PubChem CID:

123055005

Reduced:

NO4C15H15 (2)

Stoich.:

AB4C15D15 (2)

Weight, g/mol:

538.114293

ΔHf, kcal/mol:

-188.87

Dipole, Da:

4.73

IP(EA), eV:

 -8.43(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4Z)-1-(3-chloro-4-methoxyphenyl)-5-(4-hydroxy-3-nitrophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC1=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