Geometry & MOs

Info

ID:	359917
PubChem CID:	127300051
Reduced:	SN2O4C12H24 (1)
Stoich.:	AB2C4D12E24 (1)
Weight, g/mol:	263.119129
ΔH_f, kcal/mol:	-172.44
Dipole, Da:	6.35
IP(EA), eV:	-8.72(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(oxolan-3-ylmethylsulfonyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

CN(CCN1CCOCC1)S(=O)(=O)CC2CCOC2

DOS

IR

Vibrations