Geometry & MOs

Info

ID:

59801

PubChem CID:

24897753

Reduced:

Cl3F3N3S3O5H15C22 (1)

Stoich.:

A3B3C3D3E5F15G22 (1)

Weight, g/mol:

613.352909

ΔHf, kcal/mol:

-277.69

Dipole, Da:

10.11

IP(EA), eV:

 -8.86(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C(=N\NC(=S)NC1=CC(=C(C=C1)C(=O)O)Cl)/C2=C(C(=CS2)C3=CC(=C(C=C3)Cl)Cl)OS(=O)(=O)CC(F)(F)F

DOS

IR

Vibrations