Geometry & MOs

Info

ID:

116821

PubChem CID:

50576757

Reduced:

ClN5O5C36H48 (1)

Stoich.:

AB5C5D36E48 (1)

Weight, g/mol:

625.303097

ΔHf, kcal/mol:

-215.37

Dipole, Da:

11.44

IP(EA), eV:

 -8.83(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-methoxy-5-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC(C5)C)OC)Cl

DOS

IR

Vibrations