Geometry & MOs

Info

ID:	173633
PubChem CID:	75664079
Reduced:	BrSN2O3H16C21 (1)
Stoich.:	ABC2D3E16F21 (1)
Weight, g/mol:	333.102137
ΔH_f, kcal/mol:	16.92
Dipole, Da:	5.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.018706
Charge, e:	-1

Chem-info

IUPAC name:

5-[(2,6-dimethylmorpholin-4-yl)-(furan-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-olate

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2C1=N[N-]S(=O)(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4

DOS

IR

Vibrations