Geometry & MOs

Info

ID:

441457

PubChem CID:

135234937

Reduced:

FPN3O8C22H25 (1)

Stoich.:

ABC3D8E22F25 (1)

Weight, g/mol:

586.135318

ΔHf, kcal/mol:

-393.68

Dipole, Da:

6.33

IP(EA), eV:

 -9.35(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4-tert-butyl-3,5-difluorophenyl)-2-methylpropan-2-yl]-1,3-dichloro-5-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-methylbenzene

Drug info:

PubChemData

Smile

C[C@@H]([C@@](COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)(O[C@H](CO)N3C=CC(=NC3=O)N)F)O

DOS

IR

Vibrations