Geometry & MOs

Info

ID:

164030

PubChem CID:

74381537

Reduced:

O2N3F6H27C29 (1)

Stoich.:

A2B3C6D27E29 (1)

Weight, g/mol:

483.18821

ΔHf, kcal/mol:

-321.01

Dipole, Da:

4.71

IP(EA), eV:

 -8.95(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[7-(2,6-difluorophenyl)-6-[C-(4-fluorophenyl)-N-methoxycarbonimidoyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-methylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C1=CN=C(C=C1)C(F)(F)F)NC2CC(N(C2=O)C3=CC=C(C=C3)C4CC4)C5=CC(=CC=C5)OC(F)(F)F

DOS

IR

Vibrations