Geometry & MOs

Info

ID:	388705
PubChem CID:	134989959
Reduced:	SN2O4C11H16 (1)
Stoich.:	AB2C4D11E16 (1)
Weight, g/mol:	336.92044
ΔH_f, kcal/mol:	-157.29
Dipole, Da:	4.43
IP(EA), eV:	-8.5(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-5-N-phenyl-1lambda4,2-dithia-4-azacyclopenta-3,5-diene-3,5-diamine

Drug info:

PubChemData

Smile

CCN1C(=C(NC1=S)C(=O)OCC)C(=O)OCC

DOS

IR

Vibrations