Geometry & MOs

Info

ID:	437862
PubChem CID:	135227201
Reduced:	SO2N4C24H32 (1)
Stoich.:	AB2C4D24E32 (1)
Weight, g/mol:	545.86602
ΔH_f, kcal/mol:	-33.97
Dipole, Da:	6.78
IP(EA), eV:	-8.43(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2,3-diiodo-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC2=C(C=C(C=C2)S(=N)(=O)C(C)C)C3=CN(C(=O)C4=C3C=CN4)C

DOS

IR

Vibrations