Geometry & MOs

Info

ID:

191167

PubChem CID:

78113703

Reduced:

ClN3O3C17H20 (1)

Stoich.:

AB3C3D17E20 (1)

Weight, g/mol:

749.328077

ΔHf, kcal/mol:

-98.69

Dipole, Da:

6.09

IP(EA), eV:

 -8.72(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hydroxy-2-[3-[4-[3-[5-[[[2-hydroxy-2-(8-hydroxy-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-5-yl)ethyl]amino]methyl]benzimidazol-1-yl]propyl-methylamino]cyclohexyl]thiophen-2-yl]-2-thiophen-2-ylacetic acid

Drug info:

PubChemData

Smile

CC1C(C2NC(=C(C(=O)N2N1)CCC(=O)O)C)C3=CC=CC=C3Cl

DOS

IR

Vibrations