Geometry & MOs

Info

ID:

120133

PubChem CID:

50715098

Reduced:

ClN5O6C32H42 (1)

Stoich.:

AB5C6D32E42 (1)

Weight, g/mol:

659.1874

ΔHf, kcal/mol:

-227.48

Dipole, Da:

5.55

IP(EA), eV:

 -8.82(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2-methylphenyl)-1-[1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]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)OC)OC

DOS

IR

Vibrations