Geometry & MOs

Info

ID:	195552
PubChem CID:	78699597
Reduced:	F3N3O3C21H28 (1)
Stoich.:	A3B3C3D21E28 (1)
Weight, g/mol:	328.113316
ΔH_f, kcal/mol:	-279.44
Dipole, Da:	6.48
IP(EA), eV:	-8.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfonylphenyl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

DOS

IR

Vibrations