Geometry & MOs

Info

ID:

185817

PubChem CID:

77352042

Reduced:

NO2C8H10 (4)

Stoich.:

AB2C8D10 (4)

Weight, g/mol:

574.301602

ΔHf, kcal/mol:

-301.74

Dipole, Da:

2.46

IP(EA), eV:

 -8.98(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[2,2-dimethyl-6-[[methyl-[3-[2-[6-(oxetan-3-yl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]amino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-amine

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OCOC(=O)CC1CC(N(C1=O)CC(=O)N2CCOCC2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

DOS

IR

Vibrations