Geometry & MOs

Info

ID:

114901

PubChem CID:

50501497

Reduced:

FCl2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-202.77

Dipole, Da:

6.31

IP(EA), eV:

 -8.85(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-(diethylcarbamoyl)-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC(=C4)Cl)Cl)C)F

DOS

IR

Vibrations