Geometry & MOs

Info

ID:	143826
PubChem CID:	53267298
Reduced:	BrClFNO3H22C25 (1)
Stoich.:	ABCDE3F22G25 (1)
Weight, g/mol:	483.08453
ΔH_f, kcal/mol:	-94.1
Dipole, Da:	3.46
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]-N-(2-ethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Cl)NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC)C

DOS

IR

Vibrations