Geometry & MOs

Info

ID:	232595
PubChem CID:	87576481
Reduced:	NSO6C9H15 (1)
Stoich.:	ABC6D9E15 (1)
Weight, g/mol:	265.062008
ΔH_f, kcal/mol:	-232.17
Dipole, Da:	4.1
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C(CO[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=C=S

DOS

IR

Vibrations