Geometry & MOs

Info

ID:	70113
PubChem CID:	47207846
Reduced:	S2N3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	304.091535
ΔH_f, kcal/mol:	-20.57
Dipole, Da:	5.69
IP(EA), eV:	-9.58(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CS(=O)(=O)CC2=NC(=NO2)C3CC3

DOS

IR

Vibrations