Geometry & MOs

Info

ID:	218885
PubChem CID:	85090110
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	522.089243
ΔH_f, kcal/mol:	105.53
Dipole, Da:	8.52
IP(EA), eV:	-5.1(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=C[N+](=CC=C2)CCC[N+]3=CC=CC(=C3)C=NO

DOS

IR

Vibrations