Geometry & MOs

Info

ID:	146629
PubChem CID:	53719891
Reduced:	OSF3H7C8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	102.04695
ΔH_f, kcal/mol:	-170.84
Dipole, Da:	3.26
IP(EA), eV:	-9.37(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tricyclo[4.2.0.02,8]octa-1(6),2,4-triene

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCC(=O)C(F)(F)F

DOS

IR

Vibrations