Geometry & MOs

Info

ID:	423959
PubChem CID:	135120881
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	311.1919
ΔH_f, kcal/mol:	39.55
Dipole, Da:	3.52
IP(EA), eV:	-8.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2,2-bis(prop-2-enyl)piperidin-1-yl]ethyl]thiolane 1,1-dioxide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=C5C=CC=NC5=CC=C4

DOS

IR

Vibrations