Geometry & MOs

Info

ID:	297273
PubChem CID:	117614326
Reduced:	OF3N6C21H23 (1)
Stoich.:	AB3C6D21E23 (1)
Weight, g/mol:	410.134184
ΔH_f, kcal/mol:	-122.79
Dipole, Da:	8.56
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-3,4-diacetyloxy-6-(acetyloxymethyl)-5-butoxyoxan-2-yl]oxyphosphinous acid

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C#N)NC\2=CC=NC(=O)/C2=C(/N)\NC3=CC=CC(=C3)[C@H](C(F)(F)F)N

DOS

IR

Vibrations