Geometry & MOs

Info

ID:	203849
PubChem CID:	79881877
Reduced:	SF2O5H12C13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	294.081599
ΔH_f, kcal/mol:	-260.7
Dipole, Da:	3.46
IP(EA), eV:	-10.18(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3,5-difluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1OC2=C(C=C(C=C2F)C=CC(=O)O)F

DOS

IR

Vibrations