Geometry & MOs

Info

ID:

119303

PubChem CID:

50677300

Reduced:

Cl2O5N6C33H40 (1)

Stoich.:

A2B5C6D33E40 (1)

Weight, g/mol:

700.254289

ΔHf, kcal/mol:

-218.73

Dipole, Da:

6.8

IP(EA), eV:

 -8.74(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl)Cl

DOS

IR

Vibrations