Geometry & MOs

Info

ID:	376032
PubChem CID:	134222032
Reduced:	FSCl2N3O3C20H24 (1)
Stoich.:	ABC2D3E3F20G24 (1)
Weight, g/mol:	594.96951
ΔH_f, kcal/mol:	-130.51
Dipole, Da:	3.36
IP(EA), eV:	-9.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-bromo-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]phenyl]-5-oxo-N-prop-2-enylpentanamide

Drug info:

PubChemData

Smile

CC(C)(NC(=O)C(Cl)Cl)O[C@@H](CCF)C1=CC=C(C=C1)C2=CN=C(C=C2)S(=N)(=O)C

DOS

IR

Vibrations