Geometry & MOs

Info

ID:	147940
PubChem CID:	53787600
Reduced:	ClNSF3O3H13C17 (1)
Stoich.:	ABCD3E3F13G17 (1)
Weight, g/mol:	228.076199
ΔH_f, kcal/mol:	-153.96
Dipole, Da:	5.54
IP(EA), eV:	-8.33(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-(3,4,5-trifluorophenyl)pent-1-en-3-one

Drug info:

PubChemData

Smile

CC(=CS(=O)C1=C(C=CC(=C1)C2=C(C=CC=C2Cl)C(F)(F)F)[N+](=O)[O-])C

DOS

IR

Vibrations