Geometry & MOs

Info

ID:	319589
PubChem CID:	126656751
Reduced:	NS2O5C9H21 (1)
Stoich.:	AB2C5D9E21 (1)
Weight, g/mol:	342.940769
ΔH_f, kcal/mol:	-233.47
Dipole, Da:	2.91
IP(EA), eV:	-9.77(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,6-trifluoro-4-sulfinamoyl-5-(trifluoromethyl)benzenesulfonic acid

Drug info:

PubChemData

Smile

CCC(C)(C(C)(C)S(=O)(=O)N(C)C)S(=O)(=O)O

DOS

IR

Vibrations