Geometry & MOs

Info

ID:	134175
PubChem CID:	51658241
Reduced:	F2N2O3H20C22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	354.071251
ΔH_f, kcal/mol:	-134.39
Dipole, Da:	3.48
IP(EA), eV:	-9.19(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[[2-(3-fluorophenoxy)pyridin-3-yl]methylamino]-(2-sulfanylidenepyridin-3-ylidene)methanolate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)OCC2=CN=CC=C2)NC(=O)COC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations