Geometry & MOs

Info

ID:	21858
PubChem CID:	592652
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	255.092915
ΔH_f, kcal/mol:	-135.25
Dipole, Da:	4.83
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C(=C(S1)C)C)C(=O)OCC

DOS

IR

Vibrations