Geometry & MOs

Info

ID:	185815
PubChem CID:	77351911
Reduced:	NO4H17C18 (2)
Stoich.:	AB4C17D18 (2)
Weight, g/mol:	264.084517
ΔH_f, kcal/mol:	-239.81
Dipole, Da:	8.6
IP(EA), eV:	-9.22(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyl-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OC2=CC=CC=C2)NC(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)NC(C)C4=CC=C(C=C4)OC5=CC=CC=C5

DOS

IR

Vibrations