Geometry & MOs

Info

ID:	26826
PubChem CID:	798925
Reduced:	FSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	299.107692
ΔH_f, kcal/mol:	-77.47
Dipole, Da:	4.11
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[(4-methylphenyl)methylamino]but-2-en-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations