Geometry & MOs

Info

ID:	42410
PubChem CID:	8149525
Reduced:	SN2O4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-120.14
Dipole, Da:	3.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755374
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1[C@@H]2CS(=O)(=O)C[C@@H]2O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations