Geometry & MOs

Info

ID:	300655
PubChem CID:	123050643
Reduced:	NO6H25C28 (1)
Stoich.:	AB6C25D28 (1)
Weight, g/mol:	513.178752
ΔH_f, kcal/mol:	-159.21
Dipole, Da:	4.28
IP(EA), eV:	-8.24(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-[(3E)-2-(4-acetyloxyphenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)OC(=O)C

DOS

IR

Vibrations