Geometry & MOs

Info

ID:

159929

PubChem CID:

57298701

Reduced:

SCl2O2N3C22H23 (1)

Stoich.:

AB2C2D3E22F23 (1)

Weight, g/mol:

569.279767

ΔHf, kcal/mol:

-34.83

Dipole, Da:

6.05

IP(EA), eV:

 -8.52(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-[[4-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]phenyl]methyl]-ethyl-pentanoylazanium

Drug info:

PubChemData

Smile

C1[C@@H](O[C@](O1)(CCC2=C(C=C(C=C2)Cl)Cl)CN3C=CN=C3)CSC4=CC=C(C=C4)N

DOS

IR

Vibrations