Geometry & MOs

Info

ID:	339871
PubChem CID:	127261880
Reduced:	NSO3F5C7H8 (1)
Stoich.:	ABC3D5E7F8 (1)
Weight, g/mol:	269.093309
ΔH_f, kcal/mol:	-367.2
Dipole, Da:	6.45
IP(EA), eV:	-9.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-sulfanyl-2-[[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxyhexan-2-yl]amino]propanoic acid

Drug info:

PubChemData

Smile

C([C@@H](C(=O)O)N)S/C(=C(\C(F)(F)F)/OCF)/F

DOS

IR

Vibrations