Geometry & MOs

Info

ID:	182194
PubChem CID:	76856712
Reduced:	SO2N4C27H32 (1)
Stoich.:	AB2C4D27E32 (1)
Weight, g/mol:	340.049333
ΔH_f, kcal/mol:	-40.92
Dipole, Da:	2.59
IP(EA), eV:	-8.38(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-3-thiophen-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(S2)NC(NC3=O)CN4CCN(CC4)C(=O)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations