Geometry & MOs

Info

ID:	230604
PubChem CID:	87571463
Reduced:	SO4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	550.104385
ΔH_f, kcal/mol:	-129.64
Dipole, Da:	8.43
IP(EA), eV:	-9.71(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[2-(2-cyclohexylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)O)OCC2CC3CC2C=C3

DOS

IR

Vibrations