Geometry & MOs

Info

ID:	421299
PubChem CID:	135115746
Reduced:	SN4O4C14H20 (1)
Stoich.:	AB4C4D14E20 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-113.84
Dipole, Da:	2.95
IP(EA), eV:	-9.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(5-ethylpyridin-2-yl)methyl]-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN1C=C(C=C1C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C#N

DOS

IR

Vibrations