Geometry & MOs

Info

ID:

112379

PubChem CID:

50404777

Reduced:

ClO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-197.3

Dipole, Da:

7.07

IP(EA), eV:

 -8.89(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations