Geometry & MOs

Info

ID:

309762

PubChem CID:

126557675

Reduced:

SF2O2N5C27H31 (1)

Stoich.:

AB2C2D5E27F31 (1)

Weight, g/mol:

439.142659

ΔHf, kcal/mol:

-76.78

Dipole, Da:

3.02

IP(EA), eV:

 -9.15(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-hydroxyethylamino)-5-pyrrolidin-1-yl-1,3-benzoxazol-6-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C)[C@@](C)(C1=C(C=CC(=C1)/C=C(/C2=NC=C(C=C2)C#N)\F)F)N=C(N)SC)C(=O)N3CCOCC3

DOS

IR

Vibrations