Geometry & MOs

Info

ID:	358077
PubChem CID:	127295622
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	327.141676
ΔH_f, kcal/mol:	-114.68
Dipole, Da:	2.66
IP(EA), eV:	-8.73(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-3-yl)sulfonyl-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCC(C1)N2CCCCC2

DOS

IR

Vibrations