Geometry & MOs

Info

ID:	139610
PubChem CID:	52570609
Reduced:	OF3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	339.0599
ΔH_f, kcal/mol:	-108.54
Dipole, Da:	5.81
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-ethoxyacetyl)amino]-4-thiophen-2-ylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(N(N=C1)C2=CC=CC(=C2)C(F)(F)F)N3C=CC=C3

DOS

IR

Vibrations