Geometry & MOs

Info

ID:	419966
PubChem CID:	135110345
Reduced:	SF3O3N4C11H13 (1)
Stoich.:	AB3C3D4E11F13 (1)
Weight, g/mol:	367.156577
ΔH_f, kcal/mol:	-245.7
Dipole, Da:	4.49
IP(EA), eV:	-9.85(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decane-9-carbonyl]phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1C(CN2C(=CC(=N2)C(=O)NCCSC(F)(F)F)C(=O)N1)O

DOS

IR

Vibrations