Geometry & MOs

Info

ID:	122751
PubChem CID:	50820411
Reduced:	SN2O4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	369.187484
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	5.56
IP(EA), eV:	-9.4(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3(CC3)C(=O)NC4CCCC4

DOS

IR

Vibrations