Geometry & MOs

Info

ID:

188624

PubChem CID:

77744195

Reduced:

SF3O5N9C29H36 (1)

Stoich.:

AB3C5D9E29F36 (1)

Weight, g/mol:

643.206698

ΔHf, kcal/mol:

-287.41

Dipole, Da:

2.59

IP(EA), eV:

 -8.79(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5-(4-amino-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-benzoyloxy-2-(1-benzoyloxybut-3-enyl)oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)C(CN1C=NC2=C1N=CN=C2N3CCC(CC3)C(=O)NC4=NCCCN4)NS(=O)(=O)C5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations