Geometry & MOs

Info

ID:	343537
PubChem CID:	127266710
Reduced:	SF2N4H10C12 (1)
Stoich.:	AB2C4D10E12 (1)
Weight, g/mol:	294.075074
ΔH_f, kcal/mol:	-1.24
Dipole, Da:	4.57
IP(EA), eV:	-9.52(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-4-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCC1=NSC(=N1)NCC2=CC(=C(C(=C2)F)C#N)F

DOS

IR

Vibrations