Geometry & MOs

Info

ID:	274673
PubChem CID:	103810961
Reduced:	FSN2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	-151.86
Dipole, Da:	6.19
IP(EA), eV:	-8.75(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-methylpentan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC(=C(C=C2)F)N

DOS

IR

Vibrations