Geometry & MOs

Info

ID:	195187
PubChem CID:	78652618
Reduced:	S2N3O3H15C18 (1)
Stoich.:	A2B3C3D15E18 (1)
Weight, g/mol:	414.107185
ΔH_f, kcal/mol:	54.44
Dipole, Da:	8.95
IP(EA), eV:	-8.65(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-butoxy-3-ethoxyphenyl)methylidene]-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations