Geometry & MOs

Info

ID:

119270

PubChem CID:

50676080

Reduced:

ClO5N6C36H45 (1)

Stoich.:

AB5C6D36E45 (1)

Weight, g/mol:

726.269939

ΔHf, kcal/mol:

-198.28

Dipole, Da:

3.54

IP(EA), eV:

 -9.07(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N6CCCC6

DOS

IR

Vibrations