Geometry & MOs

Info

ID:

119933

PubChem CID:

50707638

Reduced:

ClN5O5C35H46 (1)

Stoich.:

AB5C5D35E46 (1)

Weight, g/mol:

645.289339

ΔHf, kcal/mol:

-223.43

Dipole, Da:

3.41

IP(EA), eV:

 -9.15(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-(2,6-difluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations