Geometry & MOs

Info

ID:	128939
PubChem CID:	51063957
Reduced:	ClSO2F3H4N4C8 (1)
Stoich.:	ABC2D3E4F4G8 (1)
Weight, g/mol:	290.02652
ΔH_f, kcal/mol:	-136.97
Dipole, Da:	7.26
IP(EA), eV:	-11.02(-2.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3,5-dichlorophenyl)-3-(4-methylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CN=C(N=C1C(F)(F)F)N2C=C(C=N2)S(=O)(=O)Cl

DOS

IR

Vibrations