Geometry & MOs

Info

ID:

120468

PubChem CID:

50728972

Reduced:

ClN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

646.243724

ΔHf, kcal/mol:

-218.38

Dipole, Da:

7.99

IP(EA), eV:

 -8.89(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)-5-chloroanilino]-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations