Geometry & MOs

Info

ID:	423951
PubChem CID:	135120834
Reduced:	SF2N2O4C14H18 (1)
Stoich.:	AB2C2D4E14F18 (1)
Weight, g/mol:	267.11384
ΔH_f, kcal/mol:	-237.66
Dipole, Da:	4.6
IP(EA), eV:	-9.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(3-chloropyridin-2-yl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations