Geometry & MOs

Info

ID:	394910
PubChem CID:	135024110
Reduced:	SF3O5C17H17 (1)
Stoich.:	AB3C5D17E17 (1)
Weight, g/mol:	273.090212
ΔH_f, kcal/mol:	-351.65
Dipole, Da:	4.51
IP(EA), eV:	-9.11(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-2-yl([1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone

Drug info:

PubChemData

Smile

CC(=O)OCC1[C@H](C=C[C@H](O1)SC2=CC=C(C=C2)C(F)(F)F)OC(=O)C

DOS

IR

Vibrations