Geometry & MOs

Info

ID:

100761

PubChem CID:

50063960

Reduced:

FO4N5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

661.309804

ΔHf, kcal/mol:

-202.81

Dipole, Da:

10.33

IP(EA), eV:

 -8.72(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C)C)F

DOS

IR

Vibrations