Geometry & MOs

Info

ID:

161224

PubChem CID:

57391092

Reduced:

ClO2F4N7C29H32 (1)

Stoich.:

AB2C4D7E29F32 (1)

Weight, g/mol:

615.181937

ΔHf, kcal/mol:

-215.45

Dipole, Da:

4.18

IP(EA), eV:

 -8.33(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3R,5S)-5-[2-[4-[(1-benzylindazol-5-yl)amino]thieno[3,2-d]pyrimidin-6-yl]ethynyl]pyrrolidin-3-yl] morpholine-4-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCNC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F.Cl

DOS

IR

Vibrations