Geometry & MOs

Info

ID:	396006
PubChem CID:	135027181
Reduced:	BrFO3C14H14 (1)
Stoich.:	ABC3D14E14 (1)
Weight, g/mol:	351.08065
ΔH_f, kcal/mol:	-162.05
Dipole, Da:	2.38
IP(EA), eV:	-10.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-diethoxyphosphoryl-6-methyl-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@]1(CC2=C(C1=O)C=CC(=C2)Br)F

DOS

IR

Vibrations