Geometry & MOs

Info

ID:	158318
PubChem CID:	56463352
Reduced:	ClSO2N4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	393.244999
ΔH_f, kcal/mol:	-68.72
Dipole, Da:	3.32
IP(EA), eV:	-9.13(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hexyl-1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations