Geometry & MOs

Info

ID:

17040

PubChem CID:

482741

Reduced:

SN2F3O6C30H31 (1)

Stoich.:

AB2C3D6E30F31 (1)

Weight, g/mol:

604.185492

ΔHf, kcal/mol:

-346.09

Dipole, Da:

4.71

IP(EA), eV:

 -8.86(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[1-[4-hydroxy-6-oxo-2-(2-phenylethyl)-2-propyl-1,3-dioxin-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

CCCC1(OC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4

DOS

IR

Vibrations