Geometry & MOs

Info

ID:	264657
PubChem CID:	103480716
Reduced:	BrFCl2N2H8C14 (1)
Stoich.:	ABC2D2E8F14 (1)
Weight, g/mol:	347.98763
ΔH_f, kcal/mol:	16.56
Dipole, Da:	5.12
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-bromo-3-chlorophenyl)carbamoyl-methylamino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)F)N=C(N2C3=C(C(=CC=C3)Cl)Br)CCl

DOS

IR

Vibrations