Geometry & MOs

Info

ID:

110709

PubChem CID:

50337049

Reduced:

ClO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-172.32

Dipole, Da:

4.88

IP(EA), eV:

 -8.91(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations