Geometry & MOs

Info

ID:

117468

PubChem CID:

50603912

Reduced:

ClN5O6C27H32 (1)

Stoich.:

AB5C6D27E32 (1)

Weight, g/mol:

609.167638

ΔHf, kcal/mol:

-219.34

Dipole, Da:

9.64

IP(EA), eV:

 -9.04(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations