Geometry & MOs

Info

ID:

120210

PubChem CID:

50717827

Reduced:

Cl2O5N6C32H42 (1)

Stoich.:

A2B5C6D32E42 (1)

Weight, g/mol:

571.256147

ΔHf, kcal/mol:

-236.3

Dipole, Da:

6.37

IP(EA), eV:

 -8.94(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations