Geometry & MOs

Info

ID:	180816
PubChem CID:	76690435
Reduced:	IrSYN5C17H23 (1)
Stoich.:	ABCD5E17F23 (1)
Weight, g/mol:	315.151767
ΔH_f, kcal/mol:	155.17
Dipole, Da:	32.64
IP(EA), eV:	-9.29(-3.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-propan-2-yl-16-thia-1,3,6,14,18-pentazapentacyclo[11.6.0.02,6.07,12.015,19]nonadeca-2,4,15(19),17-tetraene

Drug info:

PubChemData

Smile

[CH3-].CC(C)C1=NC2=C(S1)NC3N2C4=NC=CN4C5C3[CH-]CCC5.[Y].[Ir]

DOS

IR

Vibrations