Geometry & MOs

Info

ID:	415375
PubChem CID:	135088369
Reduced:	SO3N5C11H19 (1)
Stoich.:	AB3C5D11E19 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-89.28
Dipole, Da:	7.97
IP(EA), eV:	-9.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1CN(C[C@H]1O)C2=NC=CC(=N2)N

DOS

IR

Vibrations