Geometry & MOs

Info

ID:	310175
PubChem CID:	126576162
Reduced:	ClSF3N3H7C13 (1)
Stoich.:	ABC3D3E7F13 (1)
Weight, g/mol:	333.93853
ΔH_f, kcal/mol:	-50.71
Dipole, Da:	3.51
IP(EA), eV:	-9.2(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-iodo-3-methylsulfanylphenyl)-2H-tetrazol-5-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)N3C(=CC=N3)C(F)(F)F)Cl

DOS

IR

Vibrations