Geometry & MOs

Info

ID:	409728
PubChem CID:	135082513
Reduced:	N2S2O3C12H18 (1)
Stoich.:	A2B2C3D12E18 (1)
Weight, g/mol:	327.131802
ΔH_f, kcal/mol:	-105.82
Dipole, Da:	5.61
IP(EA), eV:	-9.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4S,5S,6R)-5-hydroxy-6-[(2S,3S)-2-hydroxy-3-methyl-5-methylideneoxolan-2-yl]-1,3-dioxan-4-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1S(=O)(=O)/N=C(/N)\SC)C)C)OC

DOS

IR

Vibrations