Geometry & MOs

Info

ID:	128696
PubChem CID:	51054469
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	365.9357
ΔH_f, kcal/mol:	-36.37
Dipole, Da:	3.14
IP(EA), eV:	-9.15(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-(5-bromothiophen-2-yl)-6-(3-methylpyrazol-4-ylidene)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Drug info:

PubChemData

Smile

CCCC1=C(SC(=N1)N2C=CC=C2)C(=O)NCCOC

DOS

IR

Vibrations