Geometry & MOs

Info

ID:

116754

PubChem CID:

50574372

Reduced:

ClSO5N7C28H36 (1)

Stoich.:

ABC5D7E28F36 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-162.36

Dipole, Da:

6.09

IP(EA), eV:

 -9.04(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations