Geometry & MOs

Info

ID:	358085
PubChem CID:	127295630
Reduced:	N2S2O4C15H28 (1)
Stoich.:	A2B2C4D15E28 (1)
Weight, g/mol:	260.155849
ΔH_f, kcal/mol:	-186.11
Dipole, Da:	7.77
IP(EA), eV:	-8.82(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations