Geometry & MOs

Info

ID:

119986

PubChem CID:

50710350

Reduced:

ClN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

499.198632

ΔHf, kcal/mol:

-232.81

Dipole, Da:

7.74

IP(EA), eV:

 -8.17(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-3-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl)OC

DOS

IR

Vibrations