Geometry & MOs

Info

ID:

300680

PubChem CID:

123050784

Reduced:

NO7H29C30 (1)

Stoich.:

AB7C29D30 (1)

Weight, g/mol:

487.163102

ΔHf, kcal/mol:

-209.54

Dipole, Da:

8.16

IP(EA), eV:

 -8.54(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[(3Z)-2-(3-hydroxy-4-methoxyphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)CC(=O)OC(C)C)C4=CC(=C(C=C4)OC)O)/O

DOS

IR

Vibrations