Geometry & MOs

Info

ID:	80663
PubChem CID:	49835800
Reduced:	SN4O5C8H14 (1)
Stoich.:	AB4C5D8E14 (1)
Weight, g/mol:	363.098788
ΔH_f, kcal/mol:	-155.68
Dipole, Da:	1.91
IP(EA), eV:	-9.54(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-aminothian-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C([C@@H]1[C@H]([C@@H]([C@H](C(S1)O)NC(=O)CN=[N+]=[N-])O)O)O

DOS

IR

Vibrations