Geometry & MOs

Info

ID:	124786
PubChem CID:	50895988
Reduced:	ISO2N4H9C12 (1)
Stoich.:	ABC2D4E9F12 (1)
Weight, g/mol:	413.96474
ΔH_f, kcal/mol:	65.06
Dipole, Da:	4.63
IP(EA), eV:	-9.91(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 6-(3-iodophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN=C2N1N=C(S2)C3=CC(=CC=C3)I

DOS

IR

Vibrations