Geometry & MOs

Info

ID:	258927
PubChem CID:	103157453
Reduced:	OSF3N5C8H10 (1)
Stoich.:	ABC3D5E8F10 (1)
Weight, g/mol:	290.09498
ΔH_f, kcal/mol:	-108.29
Dipole, Da:	10.16
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-amine

Drug info:

PubChemData

Smile

COC(CC1=NN2C(=NN=C2S1)C(F)(F)F)CN

DOS

IR

Vibrations