Geometry & MOs

Info

ID:

328506

PubChem CID:

126723676

Reduced:

ClFN2P3C11O14H15 (1)

Stoich.:

ABC2D3E11F14G15 (1)

Weight, g/mol:

1206.562813

ΔHf, kcal/mol:

-807.79

Dipole, Da:

3.09

IP(EA), eV:

 -10.54(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cyclohexyl-6-[4-[4-[3-cyclohexyl-5-sulfo-2-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxyphenyl]cyclohexyl]cyclohexyl]-4-[2,4,6-tri(propan-2-yl)phenyl]sulfonyloxybenzenesulfonic acid

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](O[C@]2([C@@]1(C2OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)CF)N3C=CC(=O)NC3=O)Cl

DOS

IR

Vibrations