Geometry & MOs

Info

ID:	406449
PubChem CID:	135077661
Reduced:	FNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	661.08286
ΔH_f, kcal/mol:	-127.78
Dipole, Da:	3.47
IP(EA), eV:	-9.44(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CC2=CC=C(C=C2)F)C[C@@H](CO)O

DOS

IR

Vibrations