Geometry & MOs

Info

ID:	124027
PubChem CID:	50869986
Reduced:	NOSC10H12 (2)
Stoich.:	ABCD10E12 (2)
Weight, g/mol:	448.9405
ΔH_f, kcal/mol:	-42.9
Dipole, Da:	10.72
IP(EA), eV:	-8.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-(2-iodophenyl)-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)OC)/C=C\3/C(=O)NC(=S)S3)C(=CC1(C)C)C

DOS

IR

Vibrations