Geometry & MOs

Info

ID:	172817
PubChem CID:	75556730
Reduced:	OS2N4C16H20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	349.052112
ΔH_f, kcal/mol:	30.74
Dipole, Da:	7.35
IP(EA), eV:	-8.67(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1,3-benzodioxol-5-ylmethylidene)-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(=CC2=CC=CS2)SC3=NNC(=N3)C

DOS

IR

Vibrations