Geometry & MOs

Info

ID:

445298

PubChem CID:

135265962

Reduced:

SN3O3F9C24H26 (1)

Stoich.:

AB3C3D9E24F26 (1)

Weight, g/mol:

595.157561

ΔHf, kcal/mol:

-578.86

Dipole, Da:

6.11

IP(EA), eV:

 -9.72(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[[[5-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methylphenyl]-4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]-hydroxymethyl]amino]methyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1CCCN1C(=O)C2=C(SC(=N2)CNCC(C)(C)O)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F

DOS

IR

Vibrations