Geometry & MOs

Info

ID:

118888

PubChem CID:

50662694

Reduced:

Cl2O5N6C34H44 (1)

Stoich.:

A2B5C6D34E44 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-217.79

Dipole, Da:

7.32

IP(EA), eV:

 -9.2(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations