Geometry & MOs

Info

ID:	251745
PubChem CID:	103106559
Reduced:	SN3O4C13H21 (1)
Stoich.:	AB3C4D13E21 (1)
Weight, g/mol:	243.138305
ΔH_f, kcal/mol:	-149.43
Dipole, Da:	7.07
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-tert-butyl-1-(2-fluoroethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)N

DOS

IR

Vibrations