Geometry & MOs

Info

ID:	21857
PubChem CID:	592588
Reduced:	ClSN5H10C11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	279.034544
ΔH_f, kcal/mol:	122.03
Dipole, Da:	5.36
IP(EA), eV:	-9.6(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanylbutanenitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)N2C(=NN=N2)SCCCC#N

DOS

IR

Vibrations