Geometry & MOs

Info

ID:	301171
PubChem CID:	123067435
Reduced:	ClNO5H28C29 (1)
Stoich.:	ABC5D28E29 (1)
Weight, g/mol:	489.170686
ΔH_f, kcal/mol:	-129.97
Dipole, Da:	6.39
IP(EA), eV:	-8.2(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OCC(C)C)C4=CC=C(C=C4)Cl)/O

DOS

IR

Vibrations