Geometry & MOs

Info

ID:	70138
PubChem CID:	47208079
Reduced:	SN2O2C11H14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	318.107185
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	6.72
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-tert-butyl-1,3-thiazol-4-yl)methylsulfonyl]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC1=CN2C=CC=C(C2=N1)C

DOS

IR

Vibrations