Geometry & MOs

Info

ID:	73865
PubChem CID:	48420852
Reduced:	ClSO3N4H13C16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	392.070989
ΔH_f, kcal/mol:	-25.19
Dipole, Da:	2.61
IP(EA), eV:	-9.92(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(CN2C=NC=N2)OC(=O)C3=CC(=CS3)C(=O)N)Cl

DOS

IR

Vibrations