Geometry & MOs

Info

ID:	28042
PubChem CID:	825266
Reduced:	S2N3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	236.991821
ΔH_f, kcal/mol:	105.9
Dipole, Da:	1.94
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2[C@@H]3C4=C(N=CC=C4)S[C@H]2C5=C(S3)N=CC=C5

DOS

IR

Vibrations