Geometry & MOs

Info

ID:	442933
PubChem CID:	135256945
Reduced:	NO6C13H19 (1)
Stoich.:	AB6C13D19 (1)
Weight, g/mol:	457.104267
ΔH_f, kcal/mol:	-248.4
Dipole, Da:	7.49
IP(EA), eV:	-8.8(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(2-sulfanylidenepyridin-1-yl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=C(C(=O)C=CN1C)OC2CC(C(C(O2)CO)O)O

DOS

IR

Vibrations