Geometry & MOs

Info

ID:

120050

PubChem CID:

50712453

Reduced:

Cl2O3N4C26H32 (1)

Stoich.:

A2B3C4D26E32 (1)

Weight, g/mol:

714.269939

ΔHf, kcal/mol:

-127.63

Dipole, Da:

7.68

IP(EA), eV:

 -8.82(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations