Geometry & MOs

Info

ID:	401370
PubChem CID:	135051072
Reduced:	BrClHgNSO2H9C14 (1)
Stoich.:	ABCDEF2G9H14 (1)
Weight, g/mol:	384.147393
ΔH_f, kcal/mol:	111.44
Dipole, Da:	17.64
IP(EA), eV:	-7.27(-2.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[4-(dimethylamino)benzoyl]phenyl]methyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC=C3Br)[Hg]Cl

DOS

IR

Vibrations