Geometry & MOs

Info

ID:	17578
PubChem CID:	505786
Reduced:	ICl2N2O2H5C15 (1)
Stoich.:	AB2C2D2E5F15 (1)
Weight, g/mol:	441.87728
ΔH_f, kcal/mol:	17.41
Dipole, Da:	2.26
IP(EA), eV:	-9.44(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dichloro-8-iodoindolo[2,1-b]quinazoline-6,12-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1I)C(=O)C3=NC4=C(C=CC(=C4C(=O)N23)Cl)Cl

DOS

IR

Vibrations