Geometry & MOs

Info

ID:	124150
PubChem CID:	50873526
Reduced:	NS2O3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	425.00709
ΔH_f, kcal/mol:	-58.04
Dipole, Da:	4.78
IP(EA), eV:	-9.35(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxy-3-methoxyphenyl]methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)/C(=C\C2=CC(=CC=C2)C(=O)O)/SC1=S

DOS

IR

Vibrations