Geometry & MOs

Info

ID:	43349
PubChem CID:	10321162
Reduced:	O2S2N4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	442.77964
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	4.3
IP(EA), eV:	-8.61(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diiodo-4,10-dithia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7,11-pentaene

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=C2C=C(S3)S(=O)(=O)NCC4=CCCCC4

DOS

IR

Vibrations