Geometry & MOs

Info

ID:	409471
PubChem CID:	135082253
Reduced:	F2S2N4O9H10C16 (1)
Stoich.:	A2B2C4D9E10F16 (1)
Weight, g/mol:	222.024518
ΔH_f, kcal/mol:	-270.18
Dipole, Da:	2.67
IP(EA), eV:	-9.17(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(propylamino)-1,3,4-thiadiazole-2-sulfonamide

Drug info:

PubChemData

Smile

C1=C(C=C(C2=C1C=C(/C(=N\NC3=CC(=C(C=C3F)F)[N+](=O)[O-])/C2=O)S(=O)(=O)O)N)S(=O)(=O)O

DOS

IR

Vibrations