Geometry & MOs

Info

ID:	319587
PubChem CID:	126656730
Reduced:	FSO3C8H11 (2)
Stoich.:	ABC3D8E11 (2)
Weight, g/mol:	570.14093
ΔH_f, kcal/mol:	-349.85
Dipole, Da:	2.46
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dimethyl-2-sulfopentan-3-yl)sulfonylpiperazin-1-yl]sulfonyl-2,3-dimethylpentane-3-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C(F)(F)S(=O)(=O)O)S(=O)(=O)OC1=CC=C(C=C1)C2CCCCC2

DOS

IR

Vibrations