Geometry & MOs

Info

ID:	188389
PubChem CID:	77708185
Reduced:	ClFSN3O3C16H17 (1)
Stoich.:	ABCD3E3F16G17 (1)
Weight, g/mol:	557.94703
ΔH_f, kcal/mol:	-149.77
Dipole, Da:	8.1
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5,14-diiodo-7-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaenyl)-2,5-dimethylphospholane

Drug info:

PubChemData

Smile

C1CN(C(=O)C1N)C2=C(C=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)F.Cl

DOS

IR

Vibrations