Geometry & MOs

Info

ID:

191076

PubChem CID:

78102314

Reduced:

SiO4N6C40H48 (1)

Stoich.:

AB4C6D40E48 (1)

Weight, g/mol:

504.245772

ΔHf, kcal/mol:

-118.39

Dipole, Da:

8.89

IP(EA), eV:

 -8.26(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations