Geometry & MOs

Info

ID:	344666
PubChem CID:	127268254
Reduced:	NS2O4C14H19 (1)
Stoich.:	AB2C4D14E19 (1)
Weight, g/mol:	261.139865
ΔH_f, kcal/mol:	-156.59
Dipole, Da:	6.83
IP(EA), eV:	-8.98(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-2-ylmethylsulfonyl)azepane

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations