Geometry & MOs

Info

ID:	333088
PubChem CID:	127251512
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	441.127776
ΔH_f, kcal/mol:	-61.59
Dipole, Da:	5.01
IP(EA), eV:	-8.85(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(3-chlorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CC3=CSC(=N3)C)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations