Geometry & MOs

Info

ID:	262054
PubChem CID:	103267492
Reduced:	BrFNO3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	257.061885
ΔH_f, kcal/mol:	-117.44
Dipole, Da:	7.55
IP(EA), eV:	-8.54(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2-chloro-6-fluoroanilino)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NCC2=C(OC=C2)C(=O)O)F)Br

DOS

IR

Vibrations