Geometry & MOs

Info

ID:

112003

PubChem CID:

50391477

Reduced:

F3O3N4C30H37 (1)

Stoich.:

A3B3C4D30E37 (1)

Weight, g/mol:

621.334876

ΔHf, kcal/mol:

-255.89

Dipole, Da:

3.41

IP(EA), eV:

 -9.3(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C(=C(C=C4)F)F)F)C

DOS

IR

Vibrations