Geometry & MOs

Info

ID:

214917

PubChem CID:

85083845

Reduced:

F6O6C33H34 (1)

Stoich.:

A6B6C33D34 (1)

Weight, g/mol:

640.284318

ΔHf, kcal/mol:

-508.22

Dipole, Da:

9.84

IP(EA), eV:

 -9.69(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[[4-[4-[4-[2-fluoro-4-[2-oxo-5-[(propanethioylamino)methyl]-1,3-oxazolidin-3-yl]phenyl]piperazin-1-yl]-4-oxobutanoyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(C1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations