Geometry & MOs

Info

ID:	151552
PubChem CID:	53837785
Reduced:	NSO5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	297.067094
ΔH_f, kcal/mol:	-162.97
Dipole, Da:	5.18
IP(EA), eV:	-9.35(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)N=C=S

DOS

IR

Vibrations