Geometry & MOs

Info

ID:	143827
PubChem CID:	53267368
Reduced:	BrFNO3H23C25 (1)
Stoich.:	ABCD3E23F25 (1)
Weight, g/mol:	483.08453
ΔH_f, kcal/mol:	-83.05
Dipole, Da:	5.2
IP(EA), eV:	-8.71(-0.96)
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-ethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3F)OC

DOS

IR

Vibrations