Geometry & MOs

Info

ID:

188040

PubChem CID:

77659169

Reduced:

ClO3N6C25H35 (1)

Stoich.:

AB3C6D25E35 (1)

Weight, g/mol:

630.148441

ΔHf, kcal/mol:

-60.8

Dipole, Da:

3.82

IP(EA), eV:

 -9.18(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[8-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[3,4-b]pyrrol-1-yl)-7-(1,3-oxazol-2-ylmethyl)-2,6-dioxo-3-(2,2,2-trifluoroethyl)-5,8-dihydro-4H-purin-9-yl]-N-(2,4-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations