Geometry & MOs

Info

ID:	353857
PubChem CID:	127285497
Reduced:	S2N4O4C13H26 (1)
Stoich.:	A2B4C4D13E26 (1)
Weight, g/mol:	249.139865
ΔH_f, kcal/mol:	-151.08
Dipole, Da:	2.32
IP(EA), eV:	-9.38(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-(3-methylbutylsulfonyl)-1,4-oxazepane

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)NCCN(C2CC2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations