Geometry & MOs

Info

ID:

376049

PubChem CID:

134222050

Reduced:

PO20C96H105 (1)

Stoich.:

AB20C96D105 (1)

Weight, g/mol:

425.138483

ΔHf, kcal/mol:

-664.91

Dipole, Da:

4.16

IP(EA), eV:

 -8.78(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-difluoro-1-[4-(fluoromethyl)-2,2-dimethyl-5-[4-[6-(methylsulfinimidoyl)pyridin-3-yl]phenyl]-1,3-oxazolidin-3-yl]ethanone

Drug info:

PubChemData

Smile

COC1C(C(OC1OCC(C(C(COP(=O)(OCC2=CC=CC=C2)OC3C(OC(C3OC)OCC(C(C(COCC4=CC5=CC=CC=C5C=C4)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)O

DOS

IR

Vibrations