Geometry & MOs

Info

ID:	161921
PubChem CID:	57393069
Reduced:	SN4O4C18H20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	449.188546
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	7.01
IP(EA), eV:	-8.56(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1,3-benzothiazol-6-yloxy)-2-methyl-3-[[(3S)-1-propan-2-ylpiperidin-3-yl]methyl]pyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)NC3=CN=C(C=C3)N4CCOCC4

DOS

IR

Vibrations