Geometry & MOs

Info

ID:

300779

PubChem CID:

123054988

Reduced:

NO6H29C33 (1)

Stoich.:

AB6C29D33 (1)

Weight, g/mol:

529.210052

ΔHf, kcal/mol:

-140.53

Dipole, Da:

7.8

IP(EA), eV:

 -8.57(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OC2=CC=C(C=C2)N3C(/C(=C(\C4=CC=C(C=C4)OC(C)C)/O)/C(=O)C3=O)C5=CC(=CC=C5)O

DOS

IR

Vibrations