Geometry & MOs

Info

ID:

117165

PubChem CID:

50593793

Reduced:

Cl2O5N6C34H42 (1)

Stoich.:

A2B5C6D34E42 (1)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-211.7

Dipole, Da:

8.5

IP(EA), eV:

 -8.85(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations