Geometry & MOs

Info

ID:	187740
PubChem CID:	77618148
Reduced:	FON4H5C9 (1)
Stoich.:	ABC4D5E9 (1)
Weight, g/mol:	442.109563
ΔH_f, kcal/mol:	114.22
Dipole, Da:	6.32
IP(EA), eV:	-9.55(-2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=C3N2C(=O)N=N3)F)C=C1

DOS

IR

Vibrations