Geometry & MOs

Info

ID:

116845

PubChem CID:

50578043

Reduced:

Cl2O5N6C39H50 (1)

Stoich.:

A2B5C6D39E50 (1)

Weight, g/mol:

726.306324

ΔHf, kcal/mol:

-227.19

Dipole, Da:

5.43

IP(EA), eV:

 -9.0(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6CCCCC6)Cl

DOS

IR

Vibrations