Geometry & MOs

Info

ID:	139751
PubChem CID:	52589406
Reduced:	Cl2N3O3H17C21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	429.064697
ΔH_f, kcal/mol:	-56.62
Dipole, Da:	2.71
IP(EA), eV:	-9.02(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2R)-2-(2,3-dichlorophenoxy)propanoyl]amino]phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC(=C1)NC(=O)C2=CC=NC=C2)OC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations