Geometry & MOs

Info

ID:	430254
PubChem CID:	135170318
Reduced:	SF2N2O2C15H18 (1)
Stoich.:	AB2C2D2E15F18 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-136.45
Dipole, Da:	4.03
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1S,2R,6S,7R)-4,11-diazatricyclo[5.3.1.02,6]undecan-9-yl]sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]3CNC[C@@H]3[C@H](C1CS(=O)(=O)C4=CC(=C(C=C4)F)F)N2

DOS

IR

Vibrations