Geometry & MOs

Info

ID:	415315
PubChem CID:	135088309
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	369.055005
ΔH_f, kcal/mol:	-42.64
Dipole, Da:	2.52
IP(EA), eV:	-8.52(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-[[(1S,5R)-9-methyl-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]sulfonyl]benzonitrile

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1)N2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations