Geometry & MOs

Info

ID:

300842

PubChem CID:

123055178

Reduced:

NO3C16H17 (2)

Stoich.:

AB3C16D17 (2)

Weight, g/mol:

527.230788

ΔHf, kcal/mol:

-177.28

Dipole, Da:

10.49

IP(EA), eV:

 -7.64(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(3Z)-1-(4-tert-butylphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N2C(/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