Geometry & MOs

Info

ID:

300679

PubChem CID:

123050782

Reduced:

NO7H25C28 (1)

Stoich.:

AB7C25D28 (1)

Weight, g/mol:

515.194402

ΔHf, kcal/mol:

-194.47

Dipole, Da:

8.1

IP(EA), eV:

 -8.63(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 2-[4-[(3Z)-2-(3-hydroxy-4-methoxyphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetate

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)C4=CC(=C(C=C4)OC)O)/O

DOS

IR

Vibrations