Geometry & MOs

Info

ID:	376029
PubChem CID:	134222029
Reduced:	FSN2O2C15H17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	554.04399
ΔH_f, kcal/mol:	-62.54
Dipole, Da:	3.99
IP(EA), eV:	-9.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-[(E)-4,4,4-trifluoro-3-(4-fluoro-3-methylphenyl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

CS(=N)(=O)C1=NC=C(C=C1)C2=CC=C(C=C2)C(CCF)O

DOS

IR

Vibrations