Geometry & MOs

Info

ID:

119597

PubChem CID:

50692401

Reduced:

ClO4N5C33H42 (1)

Stoich.:

AB4C5D33E42 (1)

Weight, g/mol:

593.276883

ΔHf, kcal/mol:

-168.07

Dipole, Da:

6.2

IP(EA), eV:

 -9.08(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations