Geometry & MOs

Info

ID:	300808
PubChem CID:	123055084
Reduced:	NO6C32H33 (1)
Stoich.:	AB6C32D33 (1)
Weight, g/mol:	513.215138
ΔH_f, kcal/mol:	-186.41
Dipole, Da:	9.28
IP(EA), eV:	-8.97(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)OC(=O)C1=CC(=CC=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=CC=C4C

DOS

IR

Vibrations