Geometry & MOs

Info

ID:

426314

PubChem CID:

135143334

Reduced:

N2F3O12C46H69 (1)

Stoich.:

A2B3C12D46E69 (1)

Weight, g/mol:

266.143056

ΔHf, kcal/mol:

-688.92

Dipole, Da:

8.81

IP(EA), eV:

 -9.66(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-(4-fluorophenyl)-2-hydroxy-3-methyl-5-(2-methylpropyl)imidazolidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)NC(=O)C(F)(F)F)C)OC)OC

DOS

IR

Vibrations