Geometry & MOs

Info

ID:	360952
PubChem CID:	127301783
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	310.078742
ΔH_f, kcal/mol:	-151.71
Dipole, Da:	6.3
IP(EA), eV:	-8.85(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(5-fluoro-1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CC2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations