Geometry & MOs

Info

ID:

111242

PubChem CID:

50359566

Reduced:

ClN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

634.347883

ΔHf, kcal/mol:

-160.63

Dipole, Da:

4.43

IP(EA), eV:

 -8.89(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations