Geometry & MOs

Info

ID:

116831

PubChem CID:

50577062

Reduced:

ClN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-213.78

Dipole, Da:

5.28

IP(EA), eV:

 -9.16(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[3-oxo-3-[4-(propylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N2CCOCC2)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations