Geometry & MOs

Info

ID:	382035
PubChem CID:	134972939
Reduced:	FNO9C11H18 (1)
Stoich.:	ABC9D11E18 (1)
Weight, g/mol:	685.186283
ΔH_f, kcal/mol:	-459.91
Dipole, Da:	4.26
IP(EA), eV:	-10.49(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,5S)-4-acetyloxy-5-(diacetylamino)-2-ethylsulfanyl-3-phenylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations