Geometry & MOs

Info

ID:	307234
PubChem CID:	125292635
Reduced:	SO3N5H23C25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	355.07391
ΔH_f, kcal/mol:	27.92
Dipole, Da:	6.14
IP(EA), eV:	-8.42(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-(1,3-benzodioxol-5-yl)-3-[5-(furan-2-yl)-4H-pyrazol-3-yl]-1,5-dihydro-1,2,4-triazole-5-thiol

Drug info:

PubChemData

Smile

C/C(=C\1/C(=NN(C1=O)C2=NC3=CC=CC=C3S2)CC(=O)OC)/NCCC4=C5C=CC=CC5=NC4

DOS

IR

Vibrations