Geometry & MOs

Info

ID:	353791
PubChem CID:	127285427
Reduced:	SN2O2C13H24 (1)
Stoich.:	AB2C2D13E24 (1)
Weight, g/mol:	231.1293
ΔH_f, kcal/mol:	-103.84
Dipole, Da:	3.8
IP(EA), eV:	-9.43(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylbutylsulfonyl)-2-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

C1CCC(C1)C2CCCN2S(=O)(=O)N3CCCC3

DOS

IR

Vibrations