Geometry & MOs

Info

ID:	326630
PubChem CID:	126687916
Reduced:	SF4O5N9C30H31 (1)
Stoich.:	AB4C5D9E30F31 (1)
Weight, g/mol:	381.84639
ΔH_f, kcal/mol:	-247.86
Dipole, Da:	14.07
IP(EA), eV:	-8.08(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-diiodoquinazoline

Drug info:

PubChemData

Smile

CC(N1CCC2=C(C1)NC(=N2)C3=C4C(=N/C(=C\5/C=C(C(=O)C=C5CC(F)(F)F)F)/N=C4NCC6=C(C=CC(=C6)O)N(C)S(=O)(=O)C)NN3)O

DOS

IR

Vibrations