Geometry & MOs

Info

ID:

120056

PubChem CID:

50712536

Reduced:

Cl2O5N6C35H46 (1)

Stoich.:

A2B5C6D35E46 (1)

Weight, g/mol:

548.197252

ΔHf, kcal/mol:

-218.04

Dipole, Da:

12.47

IP(EA), eV:

 -8.86(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N(CC)CC

DOS

IR

Vibrations