Geometry & MOs

Info

ID:

449069

PubChem CID:

135295745

Reduced:

SN2O6H18C37 (1)

Stoich.:

AB2C6D18E37 (1)

Weight, g/mol:

586.174514

ΔHf, kcal/mol:

239.91

Dipole, Da:

10.32

IP(EA), eV:

 -9.36(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[1-[3-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-hydroxypropoxy]propan-2-yloxy]-3-hydroxybutoxy]propane-1,2,3-tricarboxylic acid

Drug info:

PubChemData

Smile

CC1CC(=O)N(C1=O)C2=CC(=CC=C2)S(=O)(=O)C3=CC=CC(=C3)N4C(=O)CC(C4=O)C#CC#CC#CC#CC#CC#CC#CC#C

DOS

IR

Vibrations