Geometry & MOs

Info

ID:	300706
PubChem CID:	123050944
Reduced:	ClNO4H26C28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	495.165743
ΔH_f, kcal/mol:	-97.04
Dipole, Da:	7.38
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-propoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2/C(=C(/C3=CC=C(C=C3)C)\O)/C(=O)C(=O)N2C4=C(C=C(C=C4)Cl)C

DOS

IR

Vibrations