Geometry & MOs

Info

ID:

306486

PubChem CID:

125083031

Reduced:

FSN3O5C38H42 (1)

Stoich.:

ABC3D5E38F42 (1)

Weight, g/mol:

597.230885

ΔHf, kcal/mol:

-177.76

Dipole, Da:

8.64

IP(EA), eV:

 -8.84(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]acetyl]-[(4-fluorophenyl)methyl]amino]-N-tert-butyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=CC=C(C=C2)F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations