Geometry & MOs

Info

ID:	193846
PubChem CID:	78447649
Reduced:	SO4N5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	370.156695
ΔH_f, kcal/mol:	-103.21
Dipole, Da:	3.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950893
Charge, e:	1

Chem-info

IUPAC name:

1-(2-fluorophenyl)-3-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC(=O)C(C(=O)N(C)C)SC1=NC(=NC2=[N+](C(=O)N(C(=O)C12)C)C)C3CC3

DOS

IR

Vibrations