Geometry & MOs

Info

ID:	13759
PubChem CID:	397946
Reduced:	NSO3C12H17 (2)
Stoich.:	ABC3D12E17 (2)
Weight, g/mol:	510.185829
ΔH_f, kcal/mol:	-194.0
Dipole, Da:	5.49
IP(EA), eV:	-9.3(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,2,6-dioxadiazecane

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(OCCCO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C

DOS

IR

Vibrations