Geometry & MOs

Info

ID:	269483
PubChem CID:	103617682
Reduced:	NSO3C10H19 (1)
Stoich.:	ABC3D10E19 (1)
Weight, g/mol:	252.093249
ΔH_f, kcal/mol:	-128.78
Dipole, Da:	2.71
IP(EA), eV:	-8.72(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(1,4-thiazepane-4-carbonyl)pyridin-2-one

Drug info:

PubChemData

Smile

COCCOCC(=O)N1CCCSCC1

DOS

IR

Vibrations