Geometry & MOs

Info

ID:	408850
PubChem CID:	135081620
Reduced:	F2N4O7C14H20 (1)
Stoich.:	A2B4C7D14E20 (1)
Weight, g/mol:	568.173332
ΔH_f, kcal/mol:	-371.67
Dipole, Da:	7.34
IP(EA), eV:	-9.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5R,6S)-4,5-dibenzoyloxy-6-[hydroxy(phenyl)methoxy]oxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H](C=C(OC1[C@H]2[C@@H]([C@@H](C(CO2)(F)F)O)O)C(=O)O)N=C(N)N

DOS

IR

Vibrations