Geometry & MOs

Info

ID:	68295
PubChem CID:	46508132
Reduced:	N2F3O6H17C21 (1)
Stoich.:	A2B3C6D17E21 (1)
Weight, g/mol:	328.104563
ΔH_f, kcal/mol:	-288.56
Dipole, Da:	7.13
IP(EA), eV:	-8.88(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-butyl-2-cyano-3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=N/C(=C\C3=CC(=CC=C3)NC(=O)C(F)(F)F)/C(=O)O2

DOS

IR

Vibrations