Geometry & MOs

Info

ID:	166613
PubChem CID:	74717099
Reduced:	N2S2O6H15C20 (1)
Stoich.:	A2B2C6D15E20 (1)
Weight, g/mol:	487.163589
ΔH_f, kcal/mol:	-105.26
Dipole, Da:	5.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769295
Charge, e:	1

Chem-info

IUPAC name:

4-[(4-chlorophenyl)-hydroxymethylidene]-5-(2,3-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(S1)N2C(C(=C(C2=O)[O-])C(=O)C3=CC=CS3)C4=CC=CO4)C

DOS

IR

Vibrations