Geometry & MOs

Info

ID:

409130

PubChem CID:

135081907

Reduced:

NLi2O3H9C14 (1)

Stoich.:

AB2C3D9E14 (1)

Weight, g/mol:

523.268236

ΔHf, kcal/mol:

-115.31

Dipole, Da:

2.81

IP(EA), eV:

 -8.49(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(methylamino)-2-[[(3R,5R,9R)-3,5,9-trimethyl-2-[(2R)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

[Li+].[Li+].C1=CC=C(C=C1)N(C(=O)C2=CC=CC=[C-]2)C(=O)[O-]

DOS

IR

Vibrations