Geometry & MOs

Info

ID:

321228

PubChem CID:

126665397

Reduced:

F3O3N6H21C22 (1)

Stoich.:

A3B3C6D21E22 (1)

Weight, g/mol:

405.054102

ΔHf, kcal/mol:

-149.33

Dipole, Da:

5.46

IP(EA), eV:

 -9.11(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[4-[2-(hydroxymethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol

Drug info:

PubChemData

Smile

C1[C@@H](CN([C@H]1C2=C(C=CC(=C2)F)F)C(=O)C3=C4C(=NN3)N=CN=C4N[C@@H]5[C@H]6C[C@H]6[C@H]([C@H]5O)O)F

DOS

IR

Vibrations