Geometry & MOs

Info

ID:

120452

PubChem CID:

50728062

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-224.97

Dipole, Da:

4.76

IP(EA), eV:

 -8.86(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl)C

DOS

IR

Vibrations