Geometry & MOs

Info

ID:	124152
PubChem CID:	50873528
Reduced:	N2S2O5H12C17 (1)
Stoich.:	A2B2C5D12E17 (1)
Weight, g/mol:	506.021798
ΔH_f, kcal/mol:	0.61
Dipole, Da:	5.62
IP(EA), eV:	-9.04(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C\C=C\C3=CC=C(O3)[N+](=O)[O-])/SC2=S

DOS

IR

Vibrations