Geometry & MOs

Info

ID:	224998
PubChem CID:	85735463
Reduced:	FSN5H6C9 (1)
Stoich.:	ABC5D6E9 (1)
Weight, g/mol:	268.93574
ΔH_f, kcal/mol:	53.69
Dipole, Da:	7.25
IP(EA), eV:	-9.29(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromoacetyl)-4,4-dimethyl-1,1-dioxothiazetidin-3-one

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1F)SC#N)N=C(C(=N2)N)N

DOS

IR

Vibrations