Geometry & MOs

Info

ID:	63298
PubChem CID:	26750531
Reduced:	ClFNO4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	334.072035
ΔH_f, kcal/mol:	-177.17
Dipole, Da:	6.04
IP(EA), eV:	-9.22(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)Cl)OC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations