Geometry & MOs

Info

ID:

110899

PubChem CID:

50343740

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-177.13

Dipole, Da:

4.68

IP(EA), eV:

 -9.08(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3,4-dimethylanilino)-3-oxopropyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3Cl)C(=O)NCC(C)C

DOS

IR

Vibrations