Geometry & MOs

Info

ID:	42411
PubChem CID:	8149526
Reduced:	SN2O4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	325.122203
ΔH_f, kcal/mol:	-128.93
Dipole, Da:	2.78
IP(EA), eV:	-9.45(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-[(3R,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