Geometry & MOs

Info

ID:	62865
PubChem CID:	26737375
Reduced:	NO2C20H39 (1)
Stoich.:	AB2C20D39 (1)
Weight, g/mol:	417.199882
ΔH_f, kcal/mol:	-156.93
Dipole, Da:	2.2
IP(EA), eV:	-8.52(2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-(3-methylbutoxy)oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)OC[C@H](CN2[C@H](CCC[C@@H]2C)C)O)C(C)C

DOS

IR

Vibrations