Geometry & MOs

Info

ID:

119811

PubChem CID:

50703238

Reduced:

ClN6O6C36H49 (1)

Stoich.:

AB6C6D36E49 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-258.66

Dipole, Da:

6.12

IP(EA), eV:

 -9.02(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(diethylcarbamoyl)-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)OC

DOS

IR

Vibrations