Geometry & MOs

Info

ID:	124137
PubChem CID:	50873290
Reduced:	NS2O5C24H25 (1)
Stoich.:	AB2C5D24E25 (1)
Weight, g/mol:	487.981603
ΔH_f, kcal/mol:	-139.26
Dipole, Da:	8.57
IP(EA), eV:	-8.96(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=CC=C2/C=C/3\C(=O)N(C(=S)S3)CC(=O)O

DOS

IR

Vibrations