Geometry & MOs

Info

ID:

300807

PubChem CID:

123055079

Reduced:

NO5H31C34 (1)

Stoich.:

AB5C31D34 (1)

Weight, g/mol:

527.230788

ΔHf, kcal/mol:

-97.19

Dipole, Da:

10.17

IP(EA), eV:

 -8.87(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butan-2-yl 3-[(3E)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-2-(2-methylphenyl)-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2/C(=C(\C3=CC=C(C=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations