Geometry & MOs

Info

ID:

191074

PubChem CID:

78102312

Reduced:

SiO6N8C45H58 (1)

Stoich.:

AB6C8D45E58 (1)

Weight, g/mol:

852.354586

ΔHf, kcal/mol:

-216.34

Dipole, Da:

4.78

IP(EA), eV:

 -8.54(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[5-[7-[4-[5-chloro-2-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[3.1.0]hexan-3-yl]-1H-imidazol-4-yl]phenyl]-3H-benzo[e]benzimidazol-2-yl]-3,3-dimethyl-1,3-azasilolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCC1C2=NC3=C(N2)C=CC4=C3C=CC(=C4)C5=CC=C(C=C5)C6=CN=C(N6)C7C[Si](CN7C(=O)C(C(C)CC)NC(=O)OC)(C)C)NC(=O)OC

DOS

IR

Vibrations