Geometry & MOs

Info

ID:	124071
PubChem CID:	50871820
Reduced:	S2N3O4H15C24 (1)
Stoich.:	A2B3C4D15E24 (1)
Weight, g/mol:	379.969227
ΔH_f, kcal/mol:	72.53
Dipole, Da:	9.46
IP(EA), eV:	-9.33(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)[N+](=O)[O-])C#N

DOS

IR

Vibrations