Geometry & MOs

Info

ID:	345070
PubChem CID:	127268830
Reduced:	NSO3C10H21 (1)
Stoich.:	ABC3D10E21 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-146.26
Dipole, Da:	3.05
IP(EA), eV:	-9.41(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-4-methylazepane

Drug info:

PubChemData

Smile

CC1CCCN(CC1)S(=O)(=O)CCOC

DOS

IR

Vibrations