Geometry & MOs

Info

ID:	360739
PubChem CID:	127301384
Reduced:	SN2O3C10H16 (1)
Stoich.:	AB2C3D10E16 (1)
Weight, g/mol:	258.103814
ΔH_f, kcal/mol:	-83.61
Dipole, Da:	4.34
IP(EA), eV:	-9.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azepan-1-ylsulfonylmethyl)-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCCCC2

DOS

IR

Vibrations