Geometry & MOs

Info

ID:	342173
PubChem CID:	127264886
Reduced:	ON2F3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	358.92855
ΔH_f, kcal/mol:	-166.58
Dipole, Da:	7.71
IP(EA), eV:	-9.51(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-bromo-4-(2-hydroxyethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

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CC(C)[C@@H]([C@@H](C(F)(F)F)O)NCC1=CC(=CC=C1)C#N

DOS

IR

Vibrations