Geometry & MOs

Info

ID:	44886
PubChem CID:	10506359
Reduced:	ClSN2O6H25C26 (1)
Stoich.:	ABC2D6E25F26 (1)
Weight, g/mol:	529.07838
ΔH_f, kcal/mol:	-183.4
Dipole, Da:	7.2
IP(EA), eV:	-9.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-3-acetamido-4-acetyloxy-1-phenylmethoxybutan-2-yl]-methyl-phenylsulfanium;iodide

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](N2[C@H](S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/COC(=O)NC(=O)CCl

DOS

IR

Vibrations