Geometry & MOs

Info

ID:	338219
PubChem CID:	127258911
Reduced:	ClFNO3C9H11 (1)
Stoich.:	ABCD3E9F11 (1)
Weight, g/mol:	274.189257
ΔH_f, kcal/mol:	-186.14
Dipole, Da:	4.39
IP(EA), eV:	-9.29(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S)-1-(methoxymethylamino)-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(CC(=O)O)N)F)O.Cl

DOS

IR

Vibrations