Geometry & MOs

Info

ID:

187945

PubChem CID:

77646066

Reduced:

ClF2N4O4C17H23 (1)

Stoich.:

AB2C4D4E17F23 (1)

Weight, g/mol:

631.260374

ΔHf, kcal/mol:

-257.96

Dipole, Da:

4.14

IP(EA), eV:

 -9.78(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[3-[(3-cyclopentylsulfanylphenyl)methoxymethyl]-2,3-dihydro-1,4-benzodioxin-6-yl]ethyl]-5-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C1C(C(=O)NC(N1)OCCNC(=O)N)Cl)OCC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations