Geometry & MOs

Info

ID:

112067

PubChem CID:

50393586

Reduced:

ClN6O6C39H53 (1)

Stoich.:

AB6C6D39E53 (1)

Weight, g/mol:

696.340211

ΔHf, kcal/mol:

-274.64

Dipole, Da:

2.23

IP(EA), eV:

 -8.57(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations