Geometry & MOs

Info

ID:	139823
PubChem CID:	52602148
Reduced:	NSO3C18H29 (1)
Stoich.:	ABC3D18E29 (1)
Weight, g/mol:	429.143236
ΔH_f, kcal/mol:	-162.98
Dipole, Da:	3.36
IP(EA), eV:	-8.91(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-tert-butylphenyl)methylsulfonylmethyl]-2-(4-ethoxyphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CCCCC[C@@H](C)NC(=O)CS(=O)(=O)CC1=C(C=CC(=C1)C)C

DOS

IR

Vibrations