Geometry & MOs

Info

ID:	405345
PubChem CID:	135073570
Reduced:	SC11H14 (1)
Stoich.:	AB11C14 (1)
Weight, g/mol:	260.159872
ΔH_f, kcal/mol:	40.93
Dipole, Da:	2.39
IP(EA), eV:	-7.56(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-benzylidene-4,7,7-trimethyl-6lambda4-thiabicyclo[3.2.1]octane

Drug info:

PubChemData

Smile

C1CCS(=CC1)C2=CC=CC=C2

DOS

IR

Vibrations