Geometry & MOs

Info

ID:	177341
PubChem CID:	76169785
Reduced:	N2O7H26C27 (1)
Stoich.:	A2B7C26D27 (1)
Weight, g/mol:	464.189376
ΔH_f, kcal/mol:	-236.16
Dipole, Da:	4.54
IP(EA), eV:	-8.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydroxy-3-oxodecyl)-3-hydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-furan-5-one

Drug info:

PubChemData

Smile

CN(C)C1C2CC3C(C4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)C5=CC=CC=C5

DOS

IR

Vibrations