Geometry & MOs

Info

ID:	125995
PubChem CID:	50947803
Reduced:	SN3O3C15H29 (1)
Stoich.:	AB3C3D15E29 (1)
Weight, g/mol:	329.131031
ΔH_f, kcal/mol:	-156.69
Dipole, Da:	3.37
IP(EA), eV:	-8.7(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylmethyl)-6-[(E)-2-(furan-2-yl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

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CN1CCC(CC1)CCNC(=O)C2CCCN(C2)S(=O)(=O)C

DOS

IR

Vibrations