Geometry & MOs

Info

ID:	300590
PubChem CID:	123044336
Reduced:	NF3O5H24C28 (1)
Stoich.:	AB3C5D24E28 (1)
Weight, g/mol:	541.02916
ΔH_f, kcal/mol:	-281.82
Dipole, Da:	7.56
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-bromophenyl)-1-(3-chloro-4-methoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC(=CC=C3)OCC)\O)/C(=O)C(=O)N2C4=CC(=CC=C4)OC(F)(F)F

DOS

IR

Vibrations