Geometry & MOs

Info

ID:

214591

PubChem CID:

85083244

Reduced:

OSN8C30H38 (1)

Stoich.:

ABC8D30E38 (1)

Weight, g/mol:

554.29111

ΔHf, kcal/mol:

68.63

Dipole, Da:

4.02

IP(EA), eV:

 -8.43(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-[tert-butyl(dimethyl)silyl]oxy-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl] 4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)N3CCN(CC3)CC4=CC=CC=C4)NC5CC(NN5)C6CC6

DOS

IR

Vibrations