Geometry & MOs

Info

ID:

222789

PubChem CID:

85332468

Reduced:

ClOSC33H47 (1)

Stoich.:

ABCD33E47 (1)

Weight, g/mol:

527.090523

ΔHf, kcal/mol:

-70.89

Dipole, Da:

2.44

IP(EA), eV:

 -8.52(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3,5-difluoro-4-[1-(2-hydroxy-2-oxo-1,3,2lambda5-dioxaphospholane-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC1CC(C(=C)C(=CC=C2CCCC3(C2CCC3C(C)CSC4=C(C=C(C=C4)C(C)(C)O)Cl)C)C1)C

DOS

IR

Vibrations