Geometry & MOs

Info

ID:

188039

PubChem CID:

77659168

Reduced:

ClF3O5N6C27H36 (1)

Stoich.:

AB3C5D6E27F36 (1)

Weight, g/mol:

502.245917

ΔHf, kcal/mol:

-315.46

Dipole, Da:

10.05

IP(EA), eV:

 -9.29(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)-7-[(2-chlorophenyl)methyl]-3-cyclopropyl-9-(2-ethoxyethyl)-5,8-dihydro-4H-purine-2,6-dione

Drug info:

PubChemData

Smile

CCOCCN1C2C(C(=O)NC(=O)N2C3CC3)N(C1N4CCC5C4CNC5)CC6=CC=CC=C6Cl.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations