Geometry & MOs

Info

ID:	54876
PubChem CID:	17389462
Reduced:	N3O5C26H37 (1)
Stoich.:	A3B5C26D37 (1)
Weight, g/mol:	376.070405
ΔH_f, kcal/mol:	-197.64
Dipole, Da:	6.44
IP(EA), eV:	-8.84(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(2-phenyl-1H-indol-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCCCN(CCCCC)CC(=O)NC1=C2CCCC2=NC3=CC=CC=C31.C(=O)(C(=O)O)O

DOS

IR

Vibrations