Geometry & MOs

Info

ID:	282356
PubChem CID:	103923173
Reduced:	BrClNO4H19C24 (1)
Stoich.:	ABCD4E19F24 (1)
Weight, g/mol:	410.9873
ΔH_f, kcal/mol:	-104.65
Dipole, Da:	6.85
IP(EA), eV:	-9.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-4-chlorophenyl)-3-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=C(C=C4)Cl)Br)C(=O)O

DOS

IR

Vibrations