Geometry & MOs

Info

ID:

314856

PubChem CID:

126623764

Reduced:

ClF2N2O2C14H17 (1)

Stoich.:

AB2C2D2E14F17 (1)

Weight, g/mol:

693.123284

ΔHf, kcal/mol:

-186.2

Dipole, Da:

4.57

IP(EA), eV:

 -9.92(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-fluoro-2-[(3-thieno[3,2-b]thiophen-5-ylcyclopentyl)carbamothioyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@H](C[C@@H]1C2=C(N=CC(=C2)F)Cl)F

DOS

IR

Vibrations