Geometry & MOs

Info

ID:

106161

PubChem CID:

50151087

Reduced:

ClO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

514.236225

ΔHf, kcal/mol:

-232.61

Dipole, Da:

7.45

IP(EA), eV:

 -8.73(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)Cl)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NC(C)C)C

DOS

IR

Vibrations