Geometry & MOs

Info

ID:	268031
PubChem CID:	103597449
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	397.146013
ΔH_f, kcal/mol:	8.47
Dipole, Da:	2.81
IP(EA), eV:	-8.5(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethoxy-3-[2-(2-piperidin-1-ylpyridin-4-yl)-1,3-thiazol-4-yl]phenol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC(=C2)C3=NC(=CS3)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations