Geometry & MOs

Info

ID:

120337

PubChem CID:

50723439

Reduced:

Cl2O4N5C28H33 (1)

Stoich.:

A2B4C5D28E33 (1)

Weight, g/mol:

708.259374

ΔHf, kcal/mol:

-156.91

Dipole, Da:

8.96

IP(EA), eV:

 -9.14(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-chloro-3-(phenylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)NC)Cl)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCCC4

DOS

IR

Vibrations