Geometry & MOs

Info

ID:	360925
PubChem CID:	127301746
Reduced:	NSO5C13H23 (1)
Stoich.:	ABC5D13E23 (1)
Weight, g/mol:	281.108565
ΔH_f, kcal/mol:	-228.4
Dipole, Da:	4.31
IP(EA), eV:	-9.85(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCS(=O)(=O)CC1)OCC2CCCO2

DOS

IR

Vibrations