Geometry & MOs

Info

ID:	311362
PubChem CID:	126591099
Reduced:	Cl2N2O3C29H32 (1)
Stoich.:	A2B2C3D29E32 (1)
Weight, g/mol:	471.00982
ΔH_f, kcal/mol:	-108.37
Dipole, Da:	3.64
IP(EA), eV:	-8.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-3-(4-chlorophenyl)-2-[[(2R)-2-iodopropanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2NC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations