Geometry & MOs

Info

ID:

111251

PubChem CID:

50359921

Reduced:

ClN6O6C34H43 (1)

Stoich.:

AB6C6D34E43 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-237.22

Dipole, Da:

3.18

IP(EA), eV:

 -9.1(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-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)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations