Geometry & MOs

Info

ID:

119267

PubChem CID:

50675750

Reduced:

ClN5O5C28H34 (1)

Stoich.:

AB5C5D28E34 (1)

Weight, g/mol:

585.271797

ΔHf, kcal/mol:

-189.85

Dipole, Da:

9.61

IP(EA), eV:

 -8.49(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-methoxy-3-(2-methylbutanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations