Geometry & MOs

Info

ID:

215061

PubChem CID:

85084074

Reduced:

NO11C37H47 (1)

Stoich.:

AB11C37D47 (1)

Weight, g/mol:

682.272416

ΔHf, kcal/mol:

-475.42

Dipole, Da:

3.44

IP(EA), eV:

 -8.78(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[(6-ethyl-1-hydroxy-7,7-dimethyl-5,8-dioxo-1-phenyl-8-phenylmethoxyoctan-4-yl)-[(4-fluorophenyl)methyl]sulfamoyl]amino]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)NC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O

DOS

IR

Vibrations