Geometry & MOs

Info

ID:

179839

PubChem CID:

76540686

Reduced:

FS2N3O3C25H28 (1)

Stoich.:

AB2C3D3E25F28 (1)

Weight, g/mol:

499.139962

ΔHf, kcal/mol:

-71.76

Dipole, Da:

7.58

IP(EA), eV:

 -8.14(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 -2

Chem-info

IUPAC name:

4-[[1-(3-fluorophenyl)-7-methyl-2,2-dioxido-2lambda4-thia-1,8-diazaspiro[4.5]dec-3-en-8-yl]methyl]-2-(5-methyl-1,3-thiazol-4-yl)phenol

Drug info:

PubChemData

Smile

CC1CC2(CCN1CC3=CC(=C4C(=CSN4)C)C(=O)C=C3)C=CS(N2C5=CC(=CC=C5)F)(O)O

DOS

IR

Vibrations