Geometry & MOs

Info

ID:	417122
PubChem CID:	135091402
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	370.146347
ΔH_f, kcal/mol:	-17.78
Dipole, Da:	4.42
IP(EA), eV:	-9.21(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-7-[[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CSC(=N3)C4=NC=CC=N4)O

DOS

IR

Vibrations