Geometry & MOs

Info

ID:	304184
PubChem CID:	124498450
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	374.145285
ΔH_f, kcal/mol:	2.54
Dipole, Da:	4.33
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCCC[C@H]1C2=CN=C(C=C2)SC3=CC=CC=C3

DOS

IR

Vibrations