Geometry & MOs

Info

ID:	269936
PubChem CID:	103620573
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	349.94577
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	1.45
IP(EA), eV:	-9.24(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-[(6-chloropyridin-3-yl)methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C1=O)CCC2=CSC(=N2)C

DOS

IR

Vibrations