Geometry & MOs

Info

ID:	31839
PubChem CID:	3720848
Reduced:	NO2S2F3H10C13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	287.038292
ΔH_f, kcal/mol:	-185.55
Dipole, Da:	2.41
IP(EA), eV:	-9.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(dimethylamino)-2-methylsulfonylprop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)SC(F)(F)F

DOS

IR

Vibrations