Geometry & MOs

Info

ID:	42409
PubChem CID:	8149524
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	325.122203
ΔH_f, kcal/mol:	-143.0
Dipole, Da:	3.94
IP(EA), eV:	-9.27(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]piperazin-4-ium-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN1[C@H]2CS(=O)(=O)C[C@H]2O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations