Geometry & MOs

Info

ID:	379796
PubChem CID:	134464920
Reduced:	S2N3O6C10H13 (1)
Stoich.:	A2B3C6D10E13 (1)
Weight, g/mol:	253.088498
ΔH_f, kcal/mol:	-184.43
Dipole, Da:	6.94
IP(EA), eV:	-9.19(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-5-propyl-3-thia-5,8,10-triazatricyclo[6.2.1.02,6]undec-2(6)-ene-4,9-dione

Drug info:

PubChemData

Smile

CCCN1C2=C(C3CN(C2)C(=O)N3OS(=O)(=O)O)SC1=O

DOS

IR

Vibrations