Geometry & MOs

Info

ID:	177693
PubChem CID:	76218051
Reduced:	BrSN3O4H8C9 (1)
Stoich.:	ABC3D4E8F9 (1)
Weight, g/mol:	327.98588
ΔH_f, kcal/mol:	-126.02
Dipole, Da:	2.86
IP(EA), eV:	-10.36(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[2-(2-fluorophenyl)-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC2=CSC(=N2)C(=O)O)Br

DOS

IR

Vibrations