Geometry & MOs

Info

ID:	201376
PubChem CID:	79530164
Reduced:	SO2N5C9H17 (1)
Stoich.:	AB2C5D9E17 (1)
Weight, g/mol:	317.008197
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	3.36
IP(EA), eV:	-8.85(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thiadiazole-4-carbonylamino)-4-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)NCC2=C(NN=C2)N

DOS

IR

Vibrations