Geometry & MOs

Info

ID:	73758
PubChem CID:	48420327
Reduced:	F3N3O3H14C18 (1)
Stoich.:	A3B3C3D14E18 (1)
Weight, g/mol:	344.074325
ΔH_f, kcal/mol:	-174.54
Dipole, Da:	5.68
IP(EA), eV:	-9.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl (E)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC2=CC=CC(=C2)C(F)(F)F)C(=O)OCCN3C=NC=N3

DOS

IR

Vibrations