Geometry & MOs

Info

ID:

187428

PubChem CID:

77571707

Reduced:

SN5O5C38H49 (1)

Stoich.:

AB5C5D38E49 (1)

Weight, g/mol:

492.223592

ΔHf, kcal/mol:

-86.89

Dipole, Da:

7.84

IP(EA), eV:

 -8.04(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-4-yl-[4-(trifluoromethyl)phenyl]methoxy]-2-methylphenoxy]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)NC(=O)C1=C2C1=C3C=CCC(C3C4=CC5=C(C=CC(=C5N4C2)C6CCCCC6)OC)C(=O)N7CCCC7CN8CCCC8

DOS

IR

Vibrations