Geometry & MOs

Info

ID:	219371
PubChem CID:	85148329
Reduced:	BrSF3O7C15H16 (1)
Stoich.:	ABC3D7E15F16 (1)
Weight, g/mol:	481.218841
ΔH_f, kcal/mol:	-411.07
Dipole, Da:	2.25
IP(EA), eV:	-9.84(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methoxy-2-[3-[3-[3-propan-2-yl-5-(trifluoromethyl)pyridin-2-yl]pyrazolidin-4-yl]propoxy]phenyl]acetic acid

Drug info:

PubChemData

Smile

COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)Br)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations