Geometry & MOs

Info

ID:	359195
PubChem CID:	127297614
Reduced:	NSO3C12H23 (1)
Stoich.:	ABC3D12E23 (1)
Weight, g/mol:	351.150429
ΔH_f, kcal/mol:	-156.31
Dipole, Da:	3.53
IP(EA), eV:	-9.36(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexylsulfonyl-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine

Drug info:

PubChemData

Smile

CC1CN(CCCO1)S(=O)(=O)C2CCCCC2

DOS

IR

Vibrations