Geometry & MOs

Info

ID:	304178
PubChem CID:	124498054
Reduced:	SN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	326.145285
ΔH_f, kcal/mol:	-43.69
Dipole, Da:	1.54
IP(EA), eV:	-8.6(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(2-ethylsulfanylpyridin-3-yl)piperidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CCSC1=C(C=CC=N1)[C@H]2CCCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations