Geometry & MOs

Info

ID:	319586
PubChem CID:	126656724
Reduced:	SN3O6H15C17 (1)
Stoich.:	AB3C6D15E17 (1)
Weight, g/mol:	412.082587
ΔH_f, kcal/mol:	-93.15
Dipole, Da:	5.79
IP(EA), eV:	-9.21(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclohexylphenoxy)sulfonyl-1,1-difluoro-2-methylpropane-1-sulfonic acid

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC2=C(N=C1)N(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

DOS

IR

Vibrations