Geometry & MOs

Info

ID:	261929
PubChem CID:	103259583
Reduced:	BrClNO2H11C14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	316.98182
ΔH_f, kcal/mol:	-43.9
Dipole, Da:	4.96
IP(EA), eV:	-9.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2-bromo-5-chloroanilino)-2-ethylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)O)CNC2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations