Geometry & MOs

Info

ID:	327480
PubChem CID:	126690064
Reduced:	FSO3N7C29H38 (1)
Stoich.:	ABC3D7E29F38 (1)
Weight, g/mol:	184.128572
ΔH_f, kcal/mol:	-73.07
Dipole, Da:	6.03
IP(EA), eV:	-8.32(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-butan-2-yl-2-thiabicyclo[4.2.0]octane

Drug info:

PubChemData

Smile

CC/C(=C\N(C)C1=NC(=CS1)C2=CC=C(C=C2)F)/N=C3C=CC(=NN3C)N4CCN([C@H](C4)CO)C(=O)OC(C)(C)C

DOS

IR

Vibrations