Geometry & MOs

Info

ID:	300963
PubChem CID:	123058752
Reduced:	ClNO6H28C29 (1)
Stoich.:	ABC6D28E29 (1)
Weight, g/mol:	499.235873
ΔH_f, kcal/mol:	-172.5
Dipole, Da:	9.11
IP(EA), eV:	-8.8(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-butoxyphenyl)-1-(2,4-dimethylphenyl)-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=C(C=CC(=C4)Cl)O

DOS

IR

Vibrations