Geometry & MOs

Info

ID:	36873
PubChem CID:	8014092
Reduced:	N2S2O4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	379.00554
ΔH_f, kcal/mol:	-81.68
Dipole, Da:	10.58
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-bromofuran-2-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)NC2=C(C3=C(S2)CCC3)C#N

DOS

IR

Vibrations