Geometry & MOs

Info

ID:

94453

PubChem CID:

50001616

Reduced:

ClO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

563.347155

ΔHf, kcal/mol:

-232.91

Dipole, Da:

3.7

IP(EA), eV:

 -8.87(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-(2-propan-2-ylanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)Cl

DOS

IR

Vibrations