Geometry & MOs

Info

ID:	230439
PubChem CID:	87570906
Reduced:	SF3N3O4H28C29 (1)
Stoich.:	AB3C3D4E28F29 (1)
Weight, g/mol:	194.032757
ΔH_f, kcal/mol:	-186.12
Dipole, Da:	7.47
IP(EA), eV:	-8.34(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-hydroxyimino-3-oxo-3-pyridin-2-ylpropanoic acid

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)OCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)CCCOCC4=CC=CC=C4)/C(=N/O)/N

DOS

IR

Vibrations