Geometry & MOs

Info

ID:	42127
PubChem CID:	8149218
Reduced:	SN2O3C15H24 (1)
Stoich.:	AB2C3D15E24 (1)
Weight, g/mol:	310.135114
ΔH_f, kcal/mol:	-27.42
Dipole, Da:	7.38
IP(EA), eV:	-7.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-(4-benzylpiperazin-1-yl)-1,1-dioxothiolan-3-ol

Drug info:

PubChemData

Smile

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)[C@@H]3CS(=O)(=O)C[C@@H]3O

DOS

IR

Vibrations