Geometry & MOs

Info

ID:	187717
PubChem CID:	77614232
Reduced:	ClSN3O5C15H16 (1)
Stoich.:	ABC3D5E15F16 (1)
Weight, g/mol:	317.094646
ΔH_f, kcal/mol:	-105.97
Dipole, Da:	5.65
IP(EA), eV:	-9.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-phenylsulfanyl-1H-pyrrol-3-yl)-1-(tetrazolidin-5-yl)propane-1,2-dione

Drug info:

PubChemData

Smile

C1CC2CCC1S2(=O)=O.C1=COC(=C1C(=CC(=O)C2=NC=NN2)O)Cl

DOS

IR

Vibrations