Geometry & MOs

Info

ID:	51588
PubChem CID:	12014284
Reduced:	SO2N4H8C11 (1)
Stoich.:	AB2C4D8E11 (1)
Weight, g/mol:	276.013953
ΔH_f, kcal/mol:	48.39
Dipole, Da:	5.9
IP(EA), eV:	-9.44(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-8-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazepin-6-one

Drug info:

PubChemData

Smile

C1C(=O)NN2C(=NN=C2SC1=O)C3=CC=CC=C3

DOS

IR

Vibrations