Geometry & MOs

Info

ID:	141994
PubChem CID:	52964942
Reduced:	OS2N6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	184.078268
ΔH_f, kcal/mol:	85.8
Dipole, Da:	4.24
IP(EA), eV:	-8.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-thia-2,3,4,5-tetrazatricyclo[6.4.0.02,6]dodec-5-ene

Drug info:

PubChemData

Smile

CCC1(CC2=C(CO1)SC3=C2C4NCNN4C5=NN=C(N35)SCC6=CC=CC=C6)C

DOS

IR

Vibrations