Geometry & MOs

Info

ID:	392114
PubChem CID:	135013057
Reduced:	PO5C11H17 (1)
Stoich.:	AB5C11D17 (1)
Weight, g/mol:	492.135565
ΔH_f, kcal/mol:	-227.25
Dipole, Da:	5.56
IP(EA), eV:	-9.49(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5S)-3,4-diacetyloxy-5-[[4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]pyridin-2-yl]methyl]oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)CP(OC)OC)[C@H]1C=CC(=O)O1

DOS

IR

Vibrations