Geometry & MOs

Info

ID:

434853

PubChem CID:

135175826

Reduced:

ClSF3N5H17C20 (1)

Stoich.:

ABC3D5E17F20 (1)

Weight, g/mol:

542.292677

ΔHf, kcal/mol:

-33.64

Dipole, Da:

6.83

IP(EA), eV:

 -8.5(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[cyclohexyl(hydroxy)methyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)C3=C(C4=NSC(=C4C=C3Cl)N5CCNCC5C(F)F)F

DOS

IR

Vibrations