Geometry & MOs

Info

ID:

300852

PubChem CID:

123055207

Reduced:

NO7C31H31 (1)

Stoich.:

AB7C31D31 (1)

Weight, g/mol:

521.12413

ΔHf, kcal/mol:

-218.15

Dipole, Da:

10.67

IP(EA), eV:

 -8.48(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3E)-1-(5-chloro-2-hydroxyphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1N2C(/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C2=O)C4=CC(=CC=C4)OC(=O)C

DOS

IR

Vibrations