Geometry & MOs

Info

ID:	435710
PubChem CID:	135192218
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	162.084479
ΔH_f, kcal/mol:	-134.12
Dipole, Da:	4.2
IP(EA), eV:	-8.22(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z,6Z)-5-[(Z)-but-2-enylidene]-6-(fluoromethylidene)cyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CCCN1C(C=CC2=C1C=CC(=C2)NS(=O)(=O)CC3=CC(=C(C=C3)C)F)O

DOS

IR

Vibrations