Geometry & MOs

Info

ID:	301051
PubChem CID:	123059638
Reduced:	NO5C32H35 (1)
Stoich.:	AB5C32D35 (1)
Weight, g/mol:	542.241687
ΔH_f, kcal/mol:	-147.93
Dipole, Da:	7.55
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3E)-2-(4-butoxyphenyl)-3-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=C(C=C(C=C4)C)C

DOS

IR

Vibrations