Geometry & MOs

Info

ID:	217066
PubChem CID:	85087195
Reduced:	SeO3C15H22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	329.084555
ΔH_f, kcal/mol:	-136.59
Dipole, Da:	1.42
IP(EA), eV:	-8.7(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl] methanesulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(C(C)(C)C)O)[Se]C1=CC=CC=C1

DOS

IR

Vibrations