Geometry & MOs

Info

ID:	31042
PubChem CID:	854251
Reduced:	NSO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	-66.86
Dipole, Da:	6.23
IP(EA), eV:	-8.87(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-(4-ethoxy-N-methylanilino)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations