Geometry & MOs

Info

ID:	170086
PubChem CID:	75194850
Reduced:	ClOSF3N3H9C18 (1)
Stoich.:	ABCD3E3F9G18 (1)
Weight, g/mol:	388.160992
ΔH_f, kcal/mol:	-56.85
Dipole, Da:	4.88
IP(EA), eV:	-10.04(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC2=NC(=NC(=O)C21)C(=CC3=CC=C(C=C3)SC(F)(F)F)C#N)Cl

DOS

IR

Vibrations