Geometry & MOs

Info

ID:	341804
PubChem CID:	127264497
Reduced:	SN2F3O3C12H15 (1)
Stoich.:	AB2C3D3E12F15 (1)
Weight, g/mol:	254.96434
ΔH_f, kcal/mol:	-188.15
Dipole, Da:	7.44
IP(EA), eV:	-9.04(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-bromo-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[S@@](=O)N[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations