Geometry & MOs

Info

ID:	250521
PubChem CID:	103097272
Reduced:	SF2N2H10C13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	268.10342
ΔH_f, kcal/mol:	-15.95
Dipole, Da:	3.95
IP(EA), eV:	-9.52(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(5-thia-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-4-yl)propanenitrile

Drug info:

PubChemData

Smile

CC(C)(C#N)C1=NC(=CS1)C2=C(C=CC=C2F)F

DOS

IR

Vibrations