Geometry & MOs

Info

ID:	85463
PubChem CID:	49875446
Reduced:	SN4H20C25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	486.05138
ΔH_f, kcal/mol:	190.78
Dipole, Da:	3.5
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-bromothiophen-2-yl)methyl]-2-trityltetrazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4N=C(N=N4)CC5=CC=CS5

DOS

IR

Vibrations