Geometry & MOs

Info

ID:	165263
PubChem CID:	74523529
Reduced:	ON2C21H33 (1)
Stoich.:	AB2C21D33 (1)
Weight, g/mol:	489.143236
ΔH_f, kcal/mol:	-35.21
Dipole, Da:	5.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753080
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1CCC(CC1)[NH+]2CC3CC(C2)C4=CC=CC(=O)N4C3

DOS

IR

Vibrations