Geometry & MOs

Info

ID:	376150
PubChem CID:	134222153
Reduced:	BrNO2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	418.075898
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	4.47
IP(EA), eV:	-9.17(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(E)-3-(3-chloro-4-fluoro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-2-fluorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=O)C(=O)NC2=CC=C(C=C2)Br

DOS

IR

Vibrations