Geometry & MOs

Info

ID:

329160

PubChem CID:

126731465

Reduced:

ClN3F5H25C26 (1)

Stoich.:

AB3C5D25E26 (1)

Weight, g/mol:

505.099572

ΔHf, kcal/mol:

-192.88

Dipole, Da:

5.45

IP(EA), eV:

 -8.75(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2,6-difluoro-3-[(2,3,5-trifluorophenyl)sulfanylamino]phenyl]methanone

Drug info:

PubChemData

Smile

CCCC(C)(C1=CNC2=NC=C(C(=C12)C)Cl)C3=C(C=CC(=C3F)NC4=CCC(C=C4)C(F)(F)F)F

DOS

IR

Vibrations