Geometry & MOs

Info

ID:	184195
PubChem CID:	77126442
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	86.18
Dipole, Da:	2.36
IP(EA), eV:	-8.38(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1C(CNN1)CNC2=C3C=CC=CC3=NS2

DOS

IR

Vibrations