Geometry & MOs

Info

ID:	419279
PubChem CID:	135107882
Reduced:	FNSO5C16H20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-224.12
Dipole, Da:	6.6
IP(EA), eV:	-9.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-methyl-9-pyrazin-2-yl-1-oxa-9-azaspiro[5.5]undecane-3,4-diol

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations