Geometry & MOs

Info

ID:	300580
PubChem CID:	123043759
Reduced:	NO4H25C31 (1)
Stoich.:	AB4C25D31 (1)
Weight, g/mol:	499.163102
ΔH_f, kcal/mol:	-38.55
Dipole, Da:	7.82
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations