Geometry & MOs

Info

ID:

426392

PubChem CID:

135143789

Reduced:

S2F5O6N9H40C43 (1)

Stoich.:

A2B5C6D9E40F43 (1)

Weight, g/mol:

330.205576

ΔHf, kcal/mol:

-181.73

Dipole, Da:

15.2

IP(EA), eV:

 -9.33(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S)-2-tert-butyl-N-(4-cyanophenyl)-4-hydroxy-N,3,5-trimethylimidazolidine-1-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C(C(=N1)N)(C)C)C2=C(N=CC(=C2)/C=C(/C3=CN=C(C=N3)OCC#CCC4(C(=N[C@](CS4(=O)=O)(C)C5=C(C(=CC(=C5)/C=C(/C6=CN=C(C=N6)OCC#C)\F)F)F)N)C)\F)F

DOS

IR

Vibrations