Geometry & MOs

Info

ID:	350118
PubChem CID:	127277196
Reduced:	SN2O2C12H24 (1)
Stoich.:	AB2C2D12E24 (1)
Weight, g/mol:	307.110296
ΔH_f, kcal/mol:	-114.83
Dipole, Da:	3.51
IP(EA), eV:	-9.44(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-ethylpyrrolidin-1-yl)sulfonylphenyl]tetrazole

Drug info:

PubChemData

Smile

CCC1CCCN1S(=O)(=O)N2CCCC(C2)C

DOS

IR

Vibrations