Geometry & MOs

Info

ID:	368154
PubChem CID:	127327705
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	298.135114
ΔH_f, kcal/mol:	-89.82
Dipole, Da:	3.12
IP(EA), eV:	-9.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(furan-2-yl)pyrrolidin-1-yl]sulfonylazepane

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)N1CCCC1C2=CC=CO2

DOS

IR

Vibrations