Geometry & MOs

Info

ID:	124116
PubChem CID:	50872811
Reduced:	NO2S2F3H12C21 (1)
Stoich.:	AB2C2D3E12F21 (1)
Weight, g/mol:	511.127586
ΔH_f, kcal/mol:	-115.29
Dipole, Da:	6.35
IP(EA), eV:	-8.91(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-(2,4-dimethylphenyl)-5-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(O2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations