Geometry & MOs

Info

ID:	25362
PubChem CID:	623603
Reduced:	ClSF2N4H5C9 (1)
Stoich.:	ABC2D4E5F9 (1)
Weight, g/mol:	274.172151
ΔH_f, kcal/mol:	-10.6
Dipole, Da:	6.66
IP(EA), eV:	-9.27(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-di(ethylidene)tricyclo[9.2.2.24,7]heptadeca-1(14),4,6,11(15),12,16-hexaene

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=C(C(=N)N12)C#N)C(F)(F)Cl

DOS

IR

Vibrations