Geometry & MOs

Info

ID:

325843

PubChem CID:

126685261

Reduced:

ClSF4N4O4C32H39 (1)

Stoich.:

ABC4D4E4F32G39 (1)

Weight, g/mol:

440.134777

ΔHf, kcal/mol:

-306.97

Dipole, Da:

7.91

IP(EA), eV:

 -9.13(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S)-3-[(2S,3S)-2-amino-3-(3,5-difluorophenyl)-3-(4-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C#CC1CCCS(=O)(=O)NC(CN1)CCC2=C(C=CC=C2F)NC(=O)[C@H]([C@H](C3CCOC(C3)CC(F)(F)F)C4=CC=C(C=C4)Cl)N

DOS

IR

Vibrations