Geometry & MOs

Info

ID:	179209
PubChem CID:	76451679
Reduced:	NSO6C24H33 (1)
Stoich.:	ABC6D24E33 (1)
Weight, g/mol:	420.178418
ΔH_f, kcal/mol:	-255.61
Dipole, Da:	4.22
IP(EA), eV:	-9.21(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl) 2-(1-acetyloxypentyl)benzoate

Drug info:

PubChemData

Smile

CCCCC(C1=CC=CC=C1C(=O)SC2COC3C2OCC3O)OC(=O)CN4CCCC4

DOS

IR

Vibrations