Geometry & MOs

Info

ID:

188012

PubChem CID:

77653816

Reduced:

NaO10C40H63 (1)

Stoich.:

AB10C40D63 (1)

Weight, g/mol:

482.167557

ΔHf, kcal/mol:

-543.66

Dipole, Da:

7.53

IP(EA), eV:

 -8.5(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[5-(6-fluoro-2-oxo-1H-indol-3-ylidene)-2,2-dimethylfuran-3-yl]phenyl]methylamino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O.CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)[O-])O2)O)O.[Na+]

DOS

IR

Vibrations