Geometry & MOs

Info

ID:

300675

PubChem CID:

123050769

Reduced:

N2O5H28C29 (1)

Stoich.:

A2B5C28D29 (1)

Weight, g/mol:

473.147452

ΔHf, kcal/mol:

-104.17

Dipole, Da:

8.74

IP(EA), eV:

 -7.86(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)N4CCCC4)C5=CC(=C(C=C5)OC)O)/O

DOS

IR

Vibrations