Geometry & MOs

Info

ID:	300965
PubChem CID:	123058756
Reduced:	NF3O5H28C30 (1)
Stoich.:	AB3C5D28E30 (1)
Weight, g/mol:	507.185729
ΔH_f, kcal/mol:	-283.84
Dipole, Da:	10.27
IP(EA), eV:	-9.17(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-butoxyphenyl)-1-(2,5-difluorophenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations