Geometry & MOs

Info

ID:	430632
PubChem CID:	135170698
Reduced:	N2F3S3C6H7 (1)
Stoich.:	A2B3C3D6E7 (1)
Weight, g/mol:	197.00814
ΔH_f, kcal/mol:	-122.21
Dipole, Da:	4.78
IP(EA), eV:	-9.11(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=NC(=NS1)SCCSC(F)(F)F

DOS

IR

Vibrations