Geometry & MOs

Info

ID:	417466
PubChem CID:	135095122
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-116.33
Dipole, Da:	2.34
IP(EA), eV:	-8.62(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C)CNC(=O)C(C)OC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations