Geometry & MOs

Info

ID:

191075

PubChem CID:

78102313

Reduced:

ClSiO6N8C44H53 (1)

Stoich.:

ABC6D8E44F53 (1)

Weight, g/mol:

704.350631

ΔHf, kcal/mol:

-184.33

Dipole, Da:

7.36

IP(EA), eV:

 -8.56(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3,3-dimethyl-5-[7-[4-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-5-yl]phenyl]-3H-benzo[e]benzimidazol-2-yl]-1,3-azasilolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1C[Si](CC1C2=NC3=C(N2)C=CC4=C3C=CC(=C4)C5=CC=C(C=C5)C6=C(NC(=N6)C7CC8CC8N7C(=O)C(C(C)C)NC(=O)OC)Cl)(C)C)NC(=O)OC

DOS

IR

Vibrations