Geometry & MOs

Info

ID:	133861
PubChem CID:	51602945
Reduced:	SO2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	410.207981
ΔH_f, kcal/mol:	18.31
Dipole, Da:	4.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.924323
Charge, e:	1

Chem-info

IUPAC name:

(3S)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(3,5-dimethoxyphenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1=NC2=[N+](N1)[C@@H](C=C(N2)C(=O)O)C3=CC=C(C=C3)SC

DOS

IR

Vibrations