Geometry & MOs

Info

ID:	187306
PubChem CID:	77556802
Reduced:	N2Cl3O3H25C28 (1)
Stoich.:	A2B3C3D25E28 (1)
Weight, g/mol:	522.147698
ΔH_f, kcal/mol:	-72.78
Dipole, Da:	7.35
IP(EA), eV:	-9.03(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1-[(3-methylphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]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)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations