Geometry & MOs

Info

ID:	191386
PubChem CID:	78141987
Reduced:	NSO4C17H23 (1)
Stoich.:	ABC4D17E23 (1)
Weight, g/mol:	586.168641
ΔH_f, kcal/mol:	-143.67
Dipole, Da:	5.81
IP(EA), eV:	-9.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)NCC=CC=CC(=O)OC(C)(C)C

DOS

IR

Vibrations