Geometry & MOs

Info

ID:	162456
PubChem CID:	57394717
Reduced:	SN2O3H24C30 (1)
Stoich.:	AB2C3D24E30 (1)
Weight, g/mol:	471.168188
ΔH_f, kcal/mol:	12.98
Dipole, Da:	1.56
IP(EA), eV:	-8.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N3C=CC(=CC3=C2OS(=O)(=O)C4=CC=C(C=C4)C)C#N)C5=CC=C(C=C5)C

DOS

IR

Vibrations