Geometry & MOs

Info

ID:

120034

PubChem CID:

50711954

Reduced:

ClN6O7C36H47 (1)

Stoich.:

AB6C7D36E47 (1)

Weight, g/mol:

708.340211

ΔHf, kcal/mol:

-234.43

Dipole, Da:

11.38

IP(EA), eV:

 -8.46(-0.6)

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-[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations