Geometry & MOs

Info

ID:	177692
PubChem CID:	76218050
Reduced:	N3O3C11H11 (1)
Stoich.:	A3B3C11D11 (1)
Weight, g/mol:	332.94189
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	5.02
IP(EA), eV:	-9.09(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-2,4-dioxo-1,3-diazinan-1-yl)methyl]-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)O)CN1C(=O)N2C=CC=CC2=N1

DOS

IR

Vibrations