Geometry & MOs

Info

ID:	231797
PubChem CID:	87574678
Reduced:	Si2O3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	429.141259
ΔH_f, kcal/mol:	-50.48
Dipole, Da:	5.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753613
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoroethyl)-N-[[2-(4-fluorophenyl)-1H-pyridin-2-yl]methyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C[Si](C)O[Si]C/C(=C(\C(C1=CC=CC=C1)C2=CC=CC=C2)/C(=O)O)/C3=CC=CC=C3

DOS

IR

Vibrations