Geometry & MOs

Info

ID:	225206
PubChem CID:	85747926
Reduced:	FSN2O4H11C16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	208.125201
ΔH_f, kcal/mol:	-110.02
Dipole, Da:	5.07
IP(EA), eV:	-9.2(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6,8,9-tetrahydrobenzo[a]heptalene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=NNC3=CC=C(C=C3)F)C2=O)S(=O)(=O)O

DOS

IR

Vibrations