Geometry & MOs

Info

ID:	280555
PubChem CID:	103849889
Reduced:	ON2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	316.994026
ΔH_f, kcal/mol:	-71.42
Dipole, Da:	2.64
IP(EA), eV:	-8.19(1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-fluoro-2-(1,3,4-thiadiazol-2-ylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

CC(C)CN1CCC[C@H]1CNC(C)COC

DOS

IR

Vibrations