Geometry & MOs

Info

ID:	274677
PubChem CID:	103810970
Reduced:	SN2O4C10H20 (1)
Stoich.:	AB2C4D10E20 (1)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	-170.96
Dipole, Da:	4.42
IP(EA), eV:	-9.84(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-2-methylpentan-1-one

Drug info:

PubChemData

Smile

COCCNCC(=O)N1CCCS(=O)(=O)CC1

DOS

IR

Vibrations