Geometry & MOs

Info

ID:	426813
PubChem CID:	135154003
Reduced:	ClNSO3H18C22 (1)
Stoich.:	ABCD3E18F22 (1)
Weight, g/mol:	357.125946
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	3.05
IP(EA), eV:	-9.08(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)CCC1=C(C2=C(O1)C=CC(=C2)C3=CC(=NC=C3)OC)C4=CC=C(S4)Cl

DOS

IR

Vibrations