Geometry & MOs

Info

ID:	31592
PubChem CID:	855911
Reduced:	SO2N4H8C12 (1)
Stoich.:	AB2C4D8E12 (1)
Weight, g/mol:	290.077931
ΔH_f, kcal/mol:	63.95
Dipole, Da:	5.91
IP(EA), eV:	-9.76(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-1-[3-(trifluoromethyl)phenyl]tetrazole

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(=O)C2=CC=CS2)N3C=NN=N3

DOS

IR

Vibrations