Geometry & MOs

Info

ID:	275969
PubChem CID:	103819566
Reduced:	BrClNO4H19C24 (1)
Stoich.:	ABCD4E19F24 (1)
Weight, g/mol:	439.0186
ΔH_f, kcal/mol:	-111.07
Dipole, Da:	4.16
IP(EA), eV:	-9.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromo-4-chlorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC(=O)O)C4=C(C=C(C=C4)Cl)Br

DOS

IR

Vibrations