Geometry & MOs

Info

ID:

116240

PubChem CID:

50552230

Reduced:

Cl2O5N6C36H46 (1)

Stoich.:

A2B5C6D36E46 (1)

Weight, g/mol:

712.290674

ΔHf, kcal/mol:

-224.28

Dipole, Da:

8.68

IP(EA), eV:

 -9.16(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)C(=O)N2CCCCC2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5

DOS

IR

Vibrations