Geometry & MOs

Info

ID:	388706
PubChem CID:	134989963
Reduced:	IS2N3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	321.87652
ΔH_f, kcal/mol:	36.6
Dipole, Da:	7.4
IP(EA), eV:	-8.32(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-2-iodo-1,2lambda4-dithia-4-azacyclopenta-2,4-dien-3-yl)sulfanyl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=S(SC(=N2)N)I

DOS

IR

Vibrations