Geometry & MOs

Info

ID:

181473

PubChem CID:

76748092

Reduced:

O3N8C36H40 (1)

Stoich.:

A3B8C36D40 (1)

Weight, g/mol:

804.439446

ΔHf, kcal/mol:

-10.07

Dipole, Da:

6.74

IP(EA), eV:

 -9.06(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-[4-[3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]isoquinolin-7-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)OC)C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CN=C5C=C(C=CC5=N4)C6=CN=C(N6)C7CCCN7

DOS

IR

Vibrations