Geometry & MOs

Info

ID:	24590
PubChem CID:	611242
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	271.087829
ΔH_f, kcal/mol:	-184.87
Dipole, Da:	3.99
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-ethyl 4-O-propyl 5-amino-3-methylthiophene-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N

DOS

IR

Vibrations