Geometry & MOs

Info

ID:	15433
PubChem CID:	441519
Reduced:	NS2O9C11H19 (1)
Stoich.:	AB2C9D11E19 (1)
Weight, g/mol:	373.050124
ΔH_f, kcal/mol:	-340.44
Dipole, Da:	5.66
IP(EA), eV:	-9.65(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulfooxypent-4-enimidothioate

Drug info:

PubChemData

Smile

C=CCCC(=NOS(=O)(=O)O)S[C@@H]1[C@@H]([C@H]([C@@H](C(O1)CO)O)O)O

DOS

IR

Vibrations