Geometry & MOs

Info

ID:	229598
PubChem CID:	87568117
Reduced:	FSN3O4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	342.03116
ΔH_f, kcal/mol:	-154.17
Dipole, Da:	9.34
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(6-bromopyridin-2-yl)-2-fluoro-2-(2H-triazol-4-yl)ethyl]-trimethylsilane

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1F)N2CCC(/C(=C\C3=CC=NN3CCCC(=O)O)/C2)S

DOS

IR

Vibrations