Geometry & MOs

Info

ID:	202100
PubChem CID:	79628861
Reduced:	SF2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	260.068257
ΔH_f, kcal/mol:	-169.7
Dipole, Da:	3.32
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,5-difluorophenyl)sulfanyl-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(CSC1=C(C=CC(=C1)F)F)C(=O)O

DOS

IR

Vibrations