Geometry & MOs

Info

ID:	302960
PubChem CID:	124489025
Reduced:	BrF2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	364.11063
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	0.76
IP(EA), eV:	-10.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@@H](C[C@H]1C2=CC(=CC(=C2)F)F)Br

DOS

IR

Vibrations