Geometry & MOs

Info

ID:	420886
PubChem CID:	135114989
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-203.78
Dipole, Da:	6.47
IP(EA), eV:	-8.94(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-[(2-methoxy-4-methylphenyl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCC2=CC(=CC=C2)O

DOS

IR

Vibrations