Geometry & MOs

Info

ID:	22804
PubChem CID:	598767
Reduced:	BrFSN4H10C14 (1)
Stoich.:	ABCD4E10F14 (1)
Weight, g/mol:	363.97936
ΔH_f, kcal/mol:	89.98
Dipole, Da:	5.19
IP(EA), eV:	-9.38(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromophenyl)methylsulfanyl]-1-(2-fluorophenyl)tetrazole

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N2C(=NN=N2)SCC3=CC=C(C=C3)Br)F

DOS

IR

Vibrations