Geometry & MOs

Info

ID:	423204
PubChem CID:	135119108
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	366.151433
ΔH_f, kcal/mol:	-188.23
Dipole, Da:	5.25
IP(EA), eV:	-8.84(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(4-methyl-7-methylsulfanylquinolin-2-yl)piperidin-3-yl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CC2=CC=C(C=C2)OC

DOS

IR

Vibrations