Geometry & MOs

Info

ID:

116868

PubChem CID:

50578610

Reduced:

ClFO4N5C36H41 (1)

Stoich.:

ABC4D5E36F41 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-196.85

Dipole, Da:

4.83

IP(EA), eV:

 -8.98(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC(=C2NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5)C)F

DOS

IR

Vibrations