Geometry & MOs

Info

ID:	360955
PubChem CID:	127301786
Reduced:	NSO3C12H21 (1)
Stoich.:	ABC3D12E21 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-153.19
Dipole, Da:	3.19
IP(EA), eV:	-9.94(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dimethylphenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCS(=O)(=O)CC2

DOS

IR

Vibrations