Geometry & MOs

Info

ID:	194992
PubChem CID:	78618126
Reduced:	FSN3O3H13C16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	347.073991
ΔH_f, kcal/mol:	-4.96
Dipole, Da:	4.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785293
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(2-fluorophenyl)carbamothioylhydrazinylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=CC=C2F)OCC(=O)[O-]

DOS

IR

Vibrations