Geometry & MOs

Info

ID:

187421

PubChem CID:

77571700

Reduced:

Br2O3N8C31H36 (1)

Stoich.:

A2B3C8D31E36 (1)

Weight, g/mol:

494.185098

ΔHf, kcal/mol:

-61.96

Dipole, Da:

1.83

IP(EA), eV:

 -8.81(-0.52)

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]methyl]sulfanyl-2-ethylphenoxy]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)NC2=CC=CC=C2)C(=O)NC(CC3=CC(=C(C(=C3)Br)N)Br)C(=O)N4CCN(CC4)C5=CC=NC=C5

DOS

IR

Vibrations