Geometry & MOs

Info

ID:

190030

PubChem CID:

77943466

Reduced:

Cl3O4N6C28H35 (1)

Stoich.:

A3B4C6D28E35 (1)

Weight, g/mol:

749.437701

ΔHf, kcal/mol:

-163.48

Dipole, Da:

4.32

IP(EA), eV:

 -8.64(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[5-[4-[4-[2-[1-(2-aminobutanoyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCC1=NC=C(N1)C2=CC=C(C=C2)C3=CN=C(N3)C4CCCN4C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations