Geometry & MOs

Info

ID:	345029
PubChem CID:	127268789
Reduced:	NSO5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	394.159614
ΔH_f, kcal/mol:	-145.73
Dipole, Da:	6.17
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]sulfonylthiane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations