Geometry & MOs

Info

ID:	124050
PubChem CID:	50870936
Reduced:	FNO2S2H22C23 (1)
Stoich.:	ABC2D2E22F23 (1)
Weight, g/mol:	467.006421
ΔH_f, kcal/mol:	-51.79
Dipole, Da:	4.15
IP(EA), eV:	-9.01(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-5-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)/C(=C\C3=CC(=CC=C3)OCC4=CC=C(C=C4)F)/SC2=S

DOS

IR

Vibrations