Geometry & MOs

Info

ID:	187741
PubChem CID:	77618149
Reduced:	ClFN2O4H20C23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	487.129884
ΔH_f, kcal/mol:	-147.35
Dipole, Da:	3.82
IP(EA), eV:	-9.79(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[[5-chloro-2-(3-pyridin-2-ylphenoxy)pyridine-3-carbonyl]amino]ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)OC2=C(C=C(C=N2)Cl)C(=O)NC(C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations