Geometry & MOs

Info

ID:	10250
PubChem CID:	99462
Reduced:	NSO9C15H19 (1)
Stoich.:	ABC9D15E19 (1)
Weight, g/mol:	389.078052
ΔH_f, kcal/mol:	-374.01
Dipole, Da:	4.64
IP(EA), eV:	-9.28(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N=C=S)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations