Geometry & MOs

Info

ID:	235126
PubChem CID:	92304085
Reduced:	FON4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	196.040545
ΔH_f, kcal/mol:	-6.9
Dipole, Da:	4.73
IP(EA), eV:	-9.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4R,5S,6R)-6-(hydroxymethyl)-5-sulfanyloxane-2,3,4-triol

Drug info:

PubChemData

Smile

C1[C@@H](N[C@H](C2=C1NC=N2)C3=CC=C(C=C3)F)C(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations