Geometry & MOs

Info

ID:

96861

PubChem CID:

50025240

Reduced:

ClO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-196.87

Dipole, Da:

5.41

IP(EA), eV:

 -8.79(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC(=C4)C

DOS

IR

Vibrations