Geometry & MOs

Info

ID:	300636
PubChem CID:	123046632
Reduced:	NF2O6H25C28 (1)
Stoich.:	AB2C6D25E28 (1)
Weight, g/mol:	530.205301
ΔH_f, kcal/mol:	-236.33
Dipole, Da:	6.78
IP(EA), eV:	-8.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4E)-4-[(2,5-dimethoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-propoxyphenyl)pyrrolidin-1-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=C(C=CC(=C3)OC)OC)\O)/C(=O)C(=O)N2C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations