Geometry & MOs

Info

ID:	183314
PubChem CID:	77006033
Reduced:	BrN2O5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	343.95633
ΔH_f, kcal/mol:	-153.19
Dipole, Da:	4.01
IP(EA), eV:	-9.26(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(C(=O)NC(=O)N1CC(=O)C2=CC3=C(C=C2)OCO3)Br

DOS

IR

Vibrations