Geometry & MOs

Info

ID:

300614

PubChem CID:

123045258

Reduced:

N2O7C30H30 (1)

Stoich.:

A2B7C30D30 (1)

Weight, g/mol:

532.14818

ΔHf, kcal/mol:

-147.19

Dipole, Da:

6.1

IP(EA), eV:

 -8.74(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-hydroxy-3-nitrophenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations