Geometry & MOs

Info

ID:	400995
PubChem CID:	135049673
Reduced:	NOPSi2C15H26 (1)
Stoich.:	ABCD2E15F26 (1)
Weight, g/mol:	428.196829
ΔH_f, kcal/mol:	-253.67
Dipole, Da:	7.15
IP(EA), eV:	-8.3(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-1-(2-benzyl-2-thioniabicyclo[2.2.1]heptan-3-yl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one;tetrafluoroborate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=N[P@]2C([Si](C)(C)C)[Si](C)(C)C

DOS

IR

Vibrations