Geometry & MOs

Info

ID:	208124
PubChem CID:	80497551
Reduced:	SO2N5H9C10 (1)
Stoich.:	AB2C5D9E10 (1)
Weight, g/mol:	229.059974
ΔH_f, kcal/mol:	69.99
Dipole, Da:	8.87
IP(EA), eV:	-8.96(-2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-(1,2-dihydrotriazol-5-ylidene)benzimidazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC2=N/C(=C\3/C=NNN3)/N=C2C=C1

DOS

IR

Vibrations