Geometry & MOs

Info

ID:	414818
PubChem CID:	135087781
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-19.79
Dipole, Da:	5.56
IP(EA), eV:	-9.0(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(3,4-dimethylphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations