Geometry & MOs

Info

ID:	310317
PubChem CID:	126578621
Reduced:	PN3O8C17H26 (1)
Stoich.:	AB3C8D17E26 (1)
Weight, g/mol:	258.146724
ΔH_f, kcal/mol:	-402.72
Dipole, Da:	4.95
IP(EA), eV:	-8.95(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,5R)-2-acetyloxy-5-ethyl-4-propan-2-yloxolan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC(C)C)NP1(=O)OC[C@@H]2[C@@H](CO1)O[C@H]([C@@H]2O)N3C=CC(=C)NC3=O

DOS

IR

Vibrations