Geometry & MOs

Info

ID:

120247

PubChem CID:

50719225

Reduced:

ClO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-185.64

Dipole, Da:

9.54

IP(EA), eV:

 -8.76(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[2-(diethylcarbamoyl)-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC=C1C(=O)N2CCCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations