Geometry & MOs

Info

ID:	159696
PubChem CID:	57288638
Reduced:	NPSO5C16H16 (1)
Stoich.:	ABCD5E16F16 (1)
Weight, g/mol:	344.131862
ΔH_f, kcal/mol:	-184.62
Dipole, Da:	3.83
IP(EA), eV:	-8.8(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]hexane-1,2,3,4,5,6-hexol

Drug info:

PubChemData

Smile

COC(=O)C(NC=S)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

DOS

IR

Vibrations