Geometry & MOs

Info

ID:	300698
PubChem CID:	123050882
Reduced:	ClNO4H26C28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	471.168188
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	10.66
IP(EA), eV:	-8.91(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)OCC(C)C)/O

DOS

IR

Vibrations