Geometry & MOs

Info

ID:	419410
PubChem CID:	135108129
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	334.189257
ΔH_f, kcal/mol:	-136.56
Dipole, Da:	5.82
IP(EA), eV:	-8.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenoxy)-1-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2)C(=O)N[C@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations