Geometry & MOs

Info

ID:	392850
PubChem CID:	135018182
Reduced:	F2O2C21H24 (1)
Stoich.:	A2B2C21D24 (1)
Weight, g/mol:	476.164224
ΔH_f, kcal/mol:	-154.43
Dipole, Da:	1.98
IP(EA), eV:	-9.39(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2R,4S,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]carbamoylamino]propanoate

Drug info:

PubChemData

Smile

C1C[C@@H](C(C1)(F)F)[C@@H](COCC2=CC=CC=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations