Geometry & MOs

Info

ID:	26154
PubChem CID:	639226
Reduced:	SO4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	206.126657
ΔH_f, kcal/mol:	-171.74
Dipole, Da:	5.51
IP(EA), eV:	-9.71(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S)-1-(1,3-diazinan-2-yl)butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CCSC(=O)[C@@H]1[C@@H]([C@H](C(=O)C=C1C)C(=O)OC)C=C(C)C

DOS

IR

Vibrations