Geometry & MOs

Info

ID:	187305
PubChem CID:	77556801
Reduced:	Cl2N3O4H23C29 (1)
Stoich.:	A2B3C4D23E29 (1)
Weight, g/mol:	542.093076
ΔH_f, kcal/mol:	-66.77
Dipole, Da:	9.74
IP(EA), eV:	-9.47(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[1-[(3-chlorophenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)C4=CC=CC(=C4)C#N

DOS

IR

Vibrations