Geometry & MOs

Info

ID:

119602

PubChem CID:

50692561

Reduced:

ClN5O6C32H40 (1)

Stoich.:

AB5C6D32E40 (1)

Weight, g/mol:

615.23791

ΔHf, kcal/mol:

-223.66

Dipole, Da:

9.33

IP(EA), eV:

 -8.56(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCOCC2)Cl)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)OC

DOS

IR

Vibrations