Geometry & MOs

Info

ID:	151549
PubChem CID:	53837782
Reduced:	NSO5C13H15 (1)
Stoich.:	ABC5D13E15 (1)
Weight, g/mol:	297.067094
ΔH_f, kcal/mol:	-158.23
Dipole, Da:	1.19
IP(EA), eV:	-9.2(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)N=C=S

DOS

IR

Vibrations