Geometry & MOs

Info

ID:

119271

PubChem CID:

50676081

Reduced:

ClN3O3C18H22 (2)

Stoich.:

AB3C3D18E22 (2)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-246.17

Dipole, Da:

2.89

IP(EA), eV:

 -9.16(-0.67)

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-[3-(diethylcarbamoyl)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=C(C=CC(=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations