Geometry & MOs

Info

ID:	158209
PubChem CID:	56463166
Reduced:	OSN4C22H32 (1)
Stoich.:	ABC4D22E32 (1)
Weight, g/mol:	403.172976
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	3.06
IP(EA), eV:	-8.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)NCC(C)N2CCN(CC2)C3=CC=CC=C3

DOS

IR

Vibrations