Geometry & MOs

Info

ID:	158699
PubChem CID:	56465105
Reduced:	SCl2N3O4C17H21 (1)
Stoich.:	AB2C3D4E17F21 (1)
Weight, g/mol:	406.240248
ΔH_f, kcal/mol:	-163.91
Dipole, Da:	5.02
IP(EA), eV:	-9.2(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[1-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperidin-4-yl]urea

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations