Geometry & MOs

Info

ID:	382280
PubChem CID:	134973336
Reduced:	KNO10C16H24 (1)
Stoich.:	ABC10D16E24 (1)
Weight, g/mol:	391.147846
ΔH_f, kcal/mol:	-512.7
Dipole, Da:	8.62
IP(EA), eV:	-9.01(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(1S,2R,3S,4R)-1-acetamido-2,3,4,5-tetrahydroxypentyl]-4-hydroxy-5-oxo-2H-furan-3-carboxylate

Drug info:

PubChemData

Smile

CC(=O)N[C@H](C1C(=C(C(=O)O1)[O-])C(=O)OC(C)(C)C)[C@H]([C@@H]([C@@H](CO)O)O)O.[K+]

DOS

IR

Vibrations