Geometry & MOs

Info

ID:

116936

PubChem CID:

50581506

Reduced:

ClO4N5C33H42 (1)

Stoich.:

AB4C5D33E42 (1)

Weight, g/mol:

595.256147

ΔHf, kcal/mol:

-171.95

Dipole, Da:

7.38

IP(EA), eV:

 -8.98(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[4-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCC5

DOS

IR

Vibrations