Geometry & MOs

Info

ID:

119785

PubChem CID:

50701204

Reduced:

ClN6O6C34H47 (1)

Stoich.:

AB6C6D34E47 (1)

Weight, g/mol:

619.256147

ΔHf, kcal/mol:

-264.29

Dipole, Da:

5.5

IP(EA), eV:

 -8.72(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)Cl

DOS

IR

Vibrations