Geometry & MOs

Info

ID:	258931
PubChem CID:	103157462
Reduced:	SO2N5C11H17 (1)
Stoich.:	AB2C5D11E17 (1)
Weight, g/mol:	283.110296
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	5.63
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-3-[3-(oxolan-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)C3CCCO3)CN

DOS

IR

Vibrations