Geometry & MOs

Info

ID:

111247

PubChem CID:

50359658

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-223.57

Dipole, Da:

10.34

IP(EA), eV:

 -8.98(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations