Geometry & MOs

Info

ID:	300543
PubChem CID:	121360480
Reduced:	OH32C45 (1)
Stoich.:	AB32C45 (1)
Weight, g/mol:	321.049336
ΔH_f, kcal/mol:	127.93
Dipole, Da:	2.02
IP(EA), eV:	-8.15(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5Z)-5-[(3,5-dimethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=CC=CC=C2O)C3=CC(=CC=C3)C4=C5C=CC=CC5=C(C6=CC=CC=C64)C7=CC=CC=C7C8=CC=CC=C8

DOS

IR

Vibrations