Geometry & MOs

Info

ID:

116214

PubChem CID:

50551292

Reduced:

ClN5O5C31H38 (1)

Stoich.:

AB5C5D31E38 (1)

Weight, g/mol:

593.276883

ΔHf, kcal/mol:

-191.39

Dipole, Da:

2.73

IP(EA), eV:

 -9.15(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations