Geometry & MOs

Info

ID:	444772
PubChem CID:	135263524
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	511.168975
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	7.49
IP(EA), eV:	-10.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(ethylcarbamoyloxymethyl)phenoxy]oxane-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(C=C(C(=O)C([C@H]2O1)(C)C)C#N)C

DOS

IR

Vibrations