Geometry & MOs

Info

ID:

107490

PubChem CID:

50205454

Reduced:

FN6O6C39H49 (1)

Stoich.:

AB6C6D39E49 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-269.41

Dipole, Da:

9.39

IP(EA), eV:

 -8.47(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations