Geometry & MOs

Info

ID:

179822

PubChem CID:

76536303

Reduced:

ClSO4N5H18C20 (1)

Stoich.:

ABC4D5E18F20 (1)

Weight, g/mol:

675.188941

ΔHf, kcal/mol:

-8.86

Dipole, Da:

7.32

IP(EA), eV:

 -9.19(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-propan-2-ylsulfonylphenyl]methyl]-4-methyl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)SC3=C2C(=O)N(C=N3)CC(=O)NN=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations