Geometry & MOs

Info

ID:	70023
PubChem CID:	47206853
Reduced:	SO3N6C10H16 (1)
Stoich.:	AB3C6D10E16 (1)
Weight, g/mol:	303.136511
ΔH_f, kcal/mol:	-4.29
Dipole, Da:	6.08
IP(EA), eV:	-11.07(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-butyltetrazol-5-yl)methylsulfonyl]-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCCCN1C(=NN=N1)CS(=O)(=O)CC2=NC(=NO2)C

DOS

IR

Vibrations