Geometry & MOs

Info

ID:	352389
PubChem CID:	127283476
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	386.09681
ΔH_f, kcal/mol:	2.69
Dipole, Da:	3.81
IP(EA), eV:	-8.83(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CS2)C(=O)CN3C(=O)C4=CC=CC=C4C=N3

DOS

IR

Vibrations