Geometry & MOs

Info

ID:

306555

PubChem CID:

125086941

Reduced:

FSN3O4C37H40 (1)

Stoich.:

ABC3D4E37F40 (1)

Weight, g/mol:

595.271607

ΔHf, kcal/mol:

-137.76

Dipole, Da:

8.07

IP(EA), eV:

 -8.93(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations