Geometry & MOs

Info

ID:	304176
PubChem CID:	124498052
Reduced:	SN2O2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-100.5
Dipole, Da:	3.16
IP(EA), eV:	-8.54(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-(2-ethylsulfanylpyridin-3-yl)piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCSC1=C(C=CC=N1)[C@H]2CCCCN2C(=O)OC(C)(C)C

DOS

IR

Vibrations