Geometry & MOs

Info

ID:	158214
PubChem CID:	56463171
Reduced:	SO3N4C22H28 (1)
Stoich.:	AB3C4D22E28 (1)
Weight, g/mol:	439.190518
ΔH_f, kcal/mol:	-75.16
Dipole, Da:	3.31
IP(EA), eV:	-8.48(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-(2-methylpropyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CS2)CN3CCN(CC3)C(=O)CCN4CCCC4=O

DOS

IR

Vibrations