Geometry & MOs

Info

ID:	399867
PubChem CID:	135043350
Reduced:	OH7C8 (2)
Stoich.:	AB7C8 (2)
Weight, g/mol:	299.037605
ΔH_f, kcal/mol:	-12.07
Dipole, Da:	4.75
IP(EA), eV:	-9.65(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(4-fluorosulfonylphenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC12C=CC(=O)C=C1C(=CCO2)C3=CC=CC=C3

DOS

IR

Vibrations