Geometry & MOs

Info

ID:	222463
PubChem CID:	85300817
Reduced:	NSO5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	335.173273
ΔH_f, kcal/mol:	-155.91
Dipole, Da:	5.35
IP(EA), eV:	-10.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-(1-acetyloxy-3-hydroxypropan-2-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1C2CC(C1C(=O)N)C(=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations