Geometry & MOs

Info

ID:

118590

PubChem CID:

50648194

Reduced:

ClN5O5C29H38 (1)

Stoich.:

AB5C5D29E38 (1)

Weight, g/mol:

559.23616

ΔHf, kcal/mol:

-208.37

Dipole, Da:

6.0

IP(EA), eV:

 -8.3(-0.56)

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-(4-fluoroanilino)-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)OC)NC(=O)C

DOS

IR

Vibrations