Geometry & MOs

Info

ID:	252593
PubChem CID:	103112520
Reduced:	SO2F3N3C11H16 (1)
Stoich.:	AB2C3D3E11F16 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-221.59
Dipole, Da:	3.7
IP(EA), eV:	-10.33(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[2-(2-methoxyethylamino)-2-oxoethyl]-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CCSC(F)(F)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations