Geometry & MOs

Info

ID:	158482
PubChem CID:	56463950
Reduced:	SN4O5C18H24 (1)
Stoich.:	AB4C5D18E24 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-171.32
Dipole, Da:	5.03
IP(EA), eV:	-9.65(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)CCN3CCCC3=O

DOS

IR

Vibrations