Geometry & MOs

Info

ID:	25539
PubChem CID:	626304
Reduced:	SF3N4H5C12 (1)
Stoich.:	AB3C4D5E12 (1)
Weight, g/mol:	294.173213
ΔH_f, kcal/mol:	-33.21
Dipole, Da:	9.88
IP(EA), eV:	-9.44(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-ethylidene-10-methylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-18-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N3C(=N)C(=C(N=C3S2)C(F)(F)F)C#N

DOS

IR

Vibrations