Geometry & MOs

Info

ID:

116404

PubChem CID:

50559242

Reduced:

Cl2O5N6C37H46 (1)

Stoich.:

A2B5C6D37E46 (1)

Weight, g/mol:

712.254289

ΔHf, kcal/mol:

-206.1

Dipole, Da:

5.99

IP(EA), eV:

 -9.01(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-1-[1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC(=C(C=C5)Cl)C(=O)N6CCCC6

DOS

IR

Vibrations