Geometry & MOs

Info

ID:	141211
PubChem CID:	52838765
Reduced:	N2S2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	417.190855
ΔH_f, kcal/mol:	-35.32
Dipole, Da:	6.07
IP(EA), eV:	-8.85(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2OCC3=CSC=N3

DOS

IR

Vibrations