Geometry & MOs

Info

ID:	158168
PubChem CID:	56463089
Reduced:	ClSN2O2C19H23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	438.093555
ΔH_f, kcal/mol:	-65.18
Dipole, Da:	1.89
IP(EA), eV:	-9.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCOC(C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations