Geometry & MOs

Info

ID:	230371
PubChem CID:	87570737
Reduced:	S2F3O8C14H17 (1)
Stoich.:	A2B3C8D14E17 (1)
Weight, g/mol:	629.110199
ΔH_f, kcal/mol:	-460.19
Dipole, Da:	7.53
IP(EA), eV:	-9.94(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[2-(2,4-difluorophenoxy)-2-(4-piperidin-4-ylsulfonylphenyl)acetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2CO[C@H](CO2)COS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations