Geometry & MOs

Info

ID:	73762
PubChem CID:	48420365
Reduced:	O3N4C15H16 (1)
Stoich.:	A3B4C15D16 (1)
Weight, g/mol:	352.120526
ΔH_f, kcal/mol:	-35.83
Dipole, Da:	8.89
IP(EA), eV:	-9.49(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 4-(tert-butylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations