Geometry & MOs

Info

ID:	84806
PubChem CID:	49870019
Reduced:	N2F3O5C12H15 (1)
Stoich.:	A2B3C5D12E15 (1)
Weight, g/mol:	337.124941
ΔH_f, kcal/mol:	-351.15
Dipole, Da:	3.77
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-hydroxy-1-methyl-4-oxo-6-(2,2,2-trifluoro-1-hydroxyethyl)pyridin-2-yl]methylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)NCC1=CC(=O)C(=C(N1C)C(C(F)(F)F)O)O

DOS

IR

Vibrations