Geometry & MOs

Info

ID:	281421
PubChem CID:	103913849
Reduced:	BrSN3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	334.192629
ΔH_f, kcal/mol:	56.02
Dipole, Da:	3.53
IP(EA), eV:	-9.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(1-methylsulfonylpropan-2-ylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C1=NC=CN1C)NCCC2=CC=C(S2)Br

DOS

IR

Vibrations