Geometry & MOs

Info

ID:	268428
PubChem CID:	103599332
Reduced:	SF2N3O3H19C21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	417.152241
ΔH_f, kcal/mol:	-125.05
Dipole, Da:	3.86
IP(EA), eV:	-9.23(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)C2=CN=CC=C2)NC(=O)C=CC3=CC(=C(C=C3)OC(F)F)OC

DOS

IR

Vibrations