Geometry & MOs

Info

ID:

112790

PubChem CID:

50420102

Reduced:

ClO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-200.87

Dipole, Da:

7.55

IP(EA), eV:

 -8.76(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations