Geometry & MOs

Info

ID:	283968
PubChem CID:	104022723
Reduced:	FSO2N4C12H15 (1)
Stoich.:	ABC2D4E12F15 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-64.51
Dipole, Da:	3.79
IP(EA), eV:	-9.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(2-methylpropyl)-1,2,4-triazole-3-sulfonamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1S(=O)(=O)N)C2=CC(=CC=C2)F

DOS

IR

Vibrations