Geometry & MOs

Info

ID:	249011
PubChem CID:	103086211
Reduced:	SO2N5C8H15 (1)
Stoich.:	AB2C5D8E15 (1)
Weight, g/mol:	287.141596
ΔH_f, kcal/mol:	-18.26
Dipole, Da:	8.84
IP(EA), eV:	-10.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(1,1-dioxothian-3-yl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2CCCS(=O)(=O)C2)N

DOS

IR

Vibrations