Geometry & MOs

Info

ID:

301030

PubChem CID:

123059483

Reduced:

ClNO5C31H32 (1)

Stoich.:

ABC5D31E32 (1)

Weight, g/mol:

535.13978

ΔHf, kcal/mol:

-154.87

Dipole, Da:

6.34

IP(EA), eV:

 -8.71(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[(3Z)-2-(3-chloro-4-hydroxyphenyl)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(\C3=CC(=CC=C3)OCC(C)C)/O)/C(=O)C2=O)C4=CC(=C(C=C4)O)Cl

DOS

IR

Vibrations