Geometry & MOs

Info

ID:

306589

PubChem CID:

125089687

Reduced:

FS2N3O5C37H42 (1)

Stoich.:

AB2C3D5E37F42 (1)

Weight, g/mol:

599.22207

ΔHf, kcal/mol:

-176.24

Dipole, Da:

4.36

IP(EA), eV:

 -8.68(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methyl-[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)S(=O)(=O)C4=CC=C(C=C4)SC

DOS

IR

Vibrations