Geometry & MOs

Info

ID:	52949
PubChem CID:	14709269
Reduced:	SH12C18 (1)
Stoich.:	AB12C18 (1)
Weight, g/mol:	296.087101
ΔH_f, kcal/mol:	72.33
Dipole, Da:	1.73
IP(EA), eV:	-8.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(9H-fluoren-9-yl)thiolane-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CSC2=C3C=CC=C4C3=C(C=C21)C5=CC=CC=C54

DOS

IR

Vibrations