Geometry & MOs

Info

ID:

81809

PubChem CID:

49855191

Reduced:

FSO2N6C18H23 (1)

Stoich.:

ABC2D6E18F23 (1)

Weight, g/mol:

461.080316

ΔHf, kcal/mol:

-97.09

Dipole, Da:

7.84

IP(EA), eV:

 -8.86(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-3-hydroxy-1-N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCN([C@@H]1C(=O)N)C(=O)NC2=NC(=C(S2)C3=NC(=NC=C3)C(C)(C)F)C

DOS

IR

Vibrations