Geometry & MOs

Info

ID:

91933

PubChem CID:

49980551

Reduced:

ClO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

577.290034

ΔHf, kcal/mol:

-178.54

Dipole, Da:

3.86

IP(EA), eV:

 -8.9(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations