Geometry & MOs

Info

ID:	301935
PubChem CID:	123101345
Reduced:	S2N3O5C16H23 (1)
Stoich.:	A2B3C5D16E23 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-186.32
Dipole, Da:	6.18
IP(EA), eV:	-9.24(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfinylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CS(=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations