Geometry & MOs

Info

ID:

179009

PubChem CID:

76419410

Reduced:

Na3S3N7O13H26C34 (1)

Stoich.:

A3B3C7D13E26F34 (1)

Weight, g/mol:

274.105253

ΔHf, kcal/mol:

-211.2

Dipole, Da:

100.5

IP(EA), eV:

 -7.3(-3.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)oxy]-6-oxohexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)C2=CC=C(C=C2)N=NC3=C(C=C4C=C(C(=NNC5=CC=C(C=C5)S(=O)(=O)[O-])C(=O)C4=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations