Geometry & MOs

Info

ID:	56553
PubChem CID:	17436275
Reduced:	ClSO3N4H17C18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	313.065176
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	7.44
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chlorothiophen-2-yl)methyl-ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(N2C3=CC(=CC=C3)Cl)SCC4=CC(=O)C(=CO4)O

DOS

IR

Vibrations