Geometry & MOs

Info

ID:

119344

PubChem CID:

50679415

Reduced:

Cl2N5O5C32H39 (1)

Stoich.:

A2B5C5D32E39 (1)

Weight, g/mol:

681.209644

ΔHf, kcal/mol:

-201.51

Dipole, Da:

5.53

IP(EA), eV:

 -9.01(-0.66)

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-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations