Geometry & MOs

Info

ID:	420257
PubChem CID:	135112103
Reduced:	SO2N5C15H23 (1)
Stoich.:	AB2C5D15E23 (1)
Weight, g/mol:	355.07574
ΔH_f, kcal/mol:	-62.45
Dipole, Da:	6.51
IP(EA), eV:	-8.67(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC(=NC(=C3)N)SC)C(=O)O

DOS

IR

Vibrations