Geometry & MOs

Info

ID:	304185
PubChem CID:	124498451
Reduced:	OSN2H22C23 (1)
Stoich.:	ABC2D22E23 (1)
Weight, g/mol:	374.145285
ΔH_f, kcal/mol:	35.5
Dipole, Da:	3.71
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[(2S)-2-(6-phenylsulfanylpyridin-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=CN=C(C=C2)SC3=CC=CC=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations