Geometry & MOs

Info

ID:	143822
PubChem CID:	53267294
Reduced:	BrFNO4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	503.02991
ΔH_f, kcal/mol:	-119.19
Dipole, Da:	4.52
IP(EA), eV:	-8.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations