Geometry & MOs

Info

ID:

111046

PubChem CID:

50349870

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-214.78

Dipole, Da:

9.7

IP(EA), eV:

 -8.85(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4F)C

DOS

IR

Vibrations