Geometry & MOs

Info

ID:	433510
PubChem CID:	135173647
Reduced:	BrNSO3C9H16 (1)
Stoich.:	ABCD3E9F16 (1)
Weight, g/mol:	265.0136
ΔH_f, kcal/mol:	-114.15
Dipole, Da:	3.54
IP(EA), eV:	-9.88(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-1-(oxetan-3-ylsulfanyl)piperidine

Drug info:

PubChemData

Smile

C1CN(CCC1CBr)S(=O)(=O)C2COC2

DOS

IR

Vibrations