Geometry & MOs

Info

ID:

115084

PubChem CID:

50508828

Reduced:

Cl2O5N6C29H36 (1)

Stoich.:

A2B5C6D29E36 (1)

Weight, g/mol:

660.259374

ΔHf, kcal/mol:

-212.71

Dipole, Da:

9.64

IP(EA), eV:

 -8.97(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl)Cl

DOS

IR

Vibrations