Geometry & MOs

Info

ID:

94947

PubChem CID:

50005164

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

579.34207

ΔHf, kcal/mol:

-191.68

Dipole, Da:

10.19

IP(EA), eV:

 -8.44(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations