Geometry & MOs

Info

ID:	325896
PubChem CID:	126685472
Reduced:	ClFS2N4O4C31H38 (1)
Stoich.:	ABC2D4E4F31G38 (1)
Weight, g/mol:	204.093249
ΔH_f, kcal/mol:	-106.13
Dipole, Da:	6.66
IP(EA), eV:	-8.86(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-2lambda6-thia-1,6-diazabicyclo[3.3.1]nonane 2,2-dioxide

Drug info:

PubChemData

Smile

C1CC2C#CCN([C@H](CN2)CCC3=C(C=CC=C3F)NC(=O)[C@H](C(C4CCS(=O)(=O)CC4)C5=CC=C(C=C5)Cl)N)S(=O)C1

DOS

IR

Vibrations