Geometry & MOs

Info

ID:	436697
PubChem CID:	135207688
Reduced:	NSO10C18H33 (1)
Stoich.:	ABC10D18E33 (1)
Weight, g/mol:	339.135173
ΔH_f, kcal/mol:	-489.39
Dipole, Da:	3.74
IP(EA), eV:	-10.3(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[(6-butoxy-4,5-dihydroxyoxan-2-yl)methylsulfinyl]propanoic acid

Drug info:

PubChemData

Smile

CCCCOC1C(C(CC(O1)CS(=O)(=O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations