Geometry & MOs

Info

ID:

118621

PubChem CID:

50649976

Reduced:

ClFO4N5C33H43 (1)

Stoich.:

ABC4D5E33F43 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-226.55

Dipole, Da:

3.51

IP(EA), eV:

 -8.73(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4

DOS

IR

Vibrations