Geometry & MOs

Info

ID:	300768
PubChem CID:	123054717
Reduced:	NCl2O5H27C29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	537.147364
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	8.47
IP(EA), eV:	-8.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(3,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-4-[hydroxy-(4-pentoxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=C(C=CC(=C3)C)O)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations