Geometry & MOs

Info

ID:	44799
PubChem CID:	10505992
Reduced:	SN2O2H23C25 (1)
Stoich.:	AB2C2D23E25 (1)
Weight, g/mol:	513.871416
ΔH_f, kcal/mol:	19.86
Dipole, Da:	3.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.181008
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-1,1,2,2-tetrafluoroethanesulfonic acid

Drug info:

PubChemData

Smile

CCC1=[N+](C(=CC(=C1)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations