Geometry & MOs

Info

ID:	324298
PubChem CID:	126677369
Reduced:	N3O5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	399.171559
ΔH_f, kcal/mol:	-126.99
Dipole, Da:	1.72
IP(EA), eV:	-8.76(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S,4R)-4-(4-methoxyphenyl)-3-(methylsulfonyloxymethyl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(=CC=C1)C2CN=C(O2)CN3C4=C(CCC(C4)C(=O)NO)OCC3=O

DOS

IR

Vibrations