Geometry & MOs

Info

ID:

109982

PubChem CID:

50304047

Reduced:

ClO5N6C35H39 (1)

Stoich.:

AB5C6D35E39 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-180.57

Dipole, Da:

6.78

IP(EA), eV:

 -8.72(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)N

DOS

IR

Vibrations