Geometry & MOs

Info

ID:	22641
PubChem CID:	598142
Reduced:	SF5O5H9C12 (1)
Stoich.:	AB5C5D9E12 (1)
Weight, g/mol:	360.009085
ΔH_f, kcal/mol:	-434.65
Dipole, Da:	5.66
IP(EA), eV:	-9.06(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[difluoro-[(6-hydroxy-1,3-benzodioxol-5-yl)sulfanyl]methyl]-3,3,3-trifluoropropanoate

Drug info:

PubChemData

Smile

COC(=O)C(C(F)(F)F)C(F)(F)SC1=CC2=C(C=C1O)OCO2

DOS

IR

Vibrations