Geometry & MOs

Info

ID:

105388

PubChem CID:

50107077

Reduced:

F2O5N6C32H34 (1)

Stoich.:

A2B5C6D32E34 (1)

Weight, g/mol:

539.256626

ΔHf, kcal/mol:

-246.14

Dipole, Da:

6.29

IP(EA), eV:

 -8.92(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations