Geometry & MOs

Info

ID:

111448

PubChem CID:

50368259

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

694.324561

ΔHf, kcal/mol:

-232.43

Dipole, Da:

9.6

IP(EA), eV:

 -8.65(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)NC(=O)C)C

DOS

IR

Vibrations