Geometry & MOs

Info

ID:	325664
PubChem CID:	126684397
Reduced:	NO4C14H19 (1)
Stoich.:	AB4C14D19 (1)
Weight, g/mol:	406.162552
ΔH_f, kcal/mol:	-172.11
Dipole, Da:	3.15
IP(EA), eV:	-8.66(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-difluoro-2-oxo-2-[[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methoxy]ethanesulfonic acid

Drug info:

PubChemData

Smile

COC1=C2CCCCC2=C(C=C1)CC(C(=O)O)(N)O

DOS

IR

Vibrations