Geometry & MOs

Info

ID:	151486
PubChem CID:	53812511
Reduced:	SN4F5O8C30H39 (1)
Stoich.:	AB4C5D8E30F39 (1)
Weight, g/mol:	281.018036
ΔH_f, kcal/mol:	-572.48
Dipole, Da:	12.15
IP(EA), eV:	-9.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(=C(C(C(F)(F)F)(F)F)OC(=O)C)C(C)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations