Geometry & MOs

Info

ID:

119578

PubChem CID:

50691565

Reduced:

Cl2N6O6C37H42 (1)

Stoich.:

A2B6C6D37E42 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-218.91

Dipole, Da:

5.21

IP(EA), eV:

 -8.75(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-(diethylcarbamoyl)-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)NC(=O)C5=CC=CC=C5Cl

DOS

IR

Vibrations