Geometry & MOs

Info

ID:	170917
PubChem CID:	75301112
Reduced:	NO5C25H29 (1)
Stoich.:	AB5C25D29 (1)
Weight, g/mol:	520.158076
ΔH_f, kcal/mol:	-155.6
Dipole, Da:	4.74
IP(EA), eV:	-9.45(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4-(4-oxo-2,3-dihydropyran-2-yl)phenoxy]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1(OC2C(C(OC2O1)(CCC#N)COCC3=CC=CC=C3)OCC4=CC=CC=C4)C

DOS

IR

Vibrations