Geometry & MOs

Info

ID:	244602
PubChem CID:	99368180
Reduced:	ClIO2N3H15C16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	423.05938
ΔH_f, kcal/mol:	-17.52
Dipole, Da:	2.49
IP(EA), eV:	-9.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-bromo-4-fluorophenoxy)-N-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CN=CC=C1)C(=O)CNC(=O)C2=C(C=C(C=C2)Cl)I

DOS

IR

Vibrations