Geometry & MOs

Info

ID:	375889
PubChem CID:	134221883
Reduced:	NO3C25H29 (1)
Stoich.:	AB3C25D29 (1)
Weight, g/mol:	588.00502
ΔH_f, kcal/mol:	-128.59
Dipole, Da:	7.96
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCN3C(=O)C4CCCCC4)C)CC(=O)O

DOS

IR

Vibrations