Geometry & MOs

Info

ID:	432938
PubChem CID:	135173075
Reduced:	ON2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	500.0762
ΔH_f, kcal/mol:	-22.78
Dipole, Da:	4.22
IP(EA), eV:	-8.77(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(2,5-dimethylhexan-3-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid

Drug info:

PubChemData

Smile

CC(N(C)C=NC=C)N(C1CCCCO1)/N=C(\C)/C=O

DOS

IR

Vibrations