Geometry & MOs

Info

ID:	400980
PubChem CID:	135049612
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	392.196829
ΔH_f, kcal/mol:	-72.5
Dipole, Da:	6.51
IP(EA), eV:	-8.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-1-[(3S)-2-(2-methylprop-2-enyl)-2-thioniabicyclo[2.2.1]heptan-3-yl]bicyclo[2.2.1]heptan-2-one;tetrafluoroborate

Drug info:

PubChemData

Smile

CCCC1=CN=C(C(=N1)S(=O)CC(=O)N2CCCCC2)CCC

DOS

IR

Vibrations