Geometry & MOs

Info

ID:

109984

PubChem CID:

50304102

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-233.87

Dipole, Da:

5.61

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC=CC(=C5C)C(=O)NC(C)C)Cl

DOS

IR

Vibrations