Geometry & MOs

Info

ID:	249124
PubChem CID:	103086981
Reduced:	SO2N5C11H23 (1)
Stoich.:	AB2C5D11E23 (1)
Weight, g/mol:	273.162332
ΔH_f, kcal/mol:	-15.33
Dipole, Da:	2.35
IP(EA), eV:	-8.67(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-methylsulfinylbutan-2-yl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CC(CCS(=O)C)N1C(=NN=N1)C(C)NCCOC

DOS

IR

Vibrations