Geometry & MOs

Info

ID:

111020

PubChem CID:

50348728

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-225.79

Dipole, Da:

10.16

IP(EA), eV:

 -9.09(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-chloro-4-(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(=C(C=C3)C(=O)N4CCCC(C4)C)Cl)C

DOS

IR

Vibrations