Geometry & MOs

Info

ID:

45181

PubChem CID:

10508835

Reduced:

PSi2N3O7C33H52 (1)

Stoich.:

AB2C3D7E33F52 (1)

Weight, g/mol:

692.190714

ΔHf, kcal/mol:

-444.83

Dipole, Da:

3.25

IP(EA), eV:

 -8.78(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(6,15,24-triacetyloxy-9,18,21-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaen-16-yl)-1H-indol-6-yl] acetate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)OP3N4C(=CC5=CC=CC=C54)C[C@H](O3)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations