Geometry & MOs

Info

ID:	264035
PubChem CID:	103419800
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	316.12792
ΔH_f, kcal/mol:	-73.94
Dipole, Da:	5.66
IP(EA), eV:	-8.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-5-(dipropylamino)-4-methylsulfanylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1=C(C(=C(S1)N2CCCCC2)OC)N

DOS

IR

Vibrations