Geometry & MOs

Info

ID:	194741
PubChem CID:	78583880
Reduced:	F2S2N3O3H14C17 (1)
Stoich.:	A2B2C3D3E14F17 (1)
Weight, g/mol:	411.05229
ΔH_f, kcal/mol:	-62.17
Dipole, Da:	3.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786995
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[4-(difluoromethylsulfanyl)phenyl]carbamothioylhydrazinylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NNC(=S)NC2=CC=C(C=C2)SC(F)F)OCC(=O)[O-]

DOS

IR

Vibrations