Geometry & MOs

Info

ID:	406203
PubChem CID:	135076865
Reduced:	SO4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	310.048665
ΔH_f, kcal/mol:	-98.97
Dipole, Da:	5.57
IP(EA), eV:	-9.55(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3,5-difluorophenyl)sulfonyl-2-fluoroacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC[C@@H]2[C@H](O2)C3=CC=CC=C3

DOS

IR

Vibrations