Geometry & MOs

Info

ID:	301936
PubChem CID:	123101346
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	399.24433
ΔH_f, kcal/mol:	-37.67
Dipole, Da:	5.64
IP(EA), eV:	-9.05(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfinylpropanoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CS(=O)CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations