Geometry & MOs

Info

ID:	172911
PubChem CID:	75571176
Reduced:	N2S2O5H16C19 (1)
Stoich.:	A2B2C5D16E19 (1)
Weight, g/mol:	482.92683
ΔH_f, kcal/mol:	-30.56
Dipole, Da:	4.87
IP(EA), eV:	-8.9(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-6-methoxyphenyl] thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CN1C(=O)C(=CC2=CC(=C(C=C2)OC)OCC3=CC=C(C=C3)[N+](=O)[O-])SC1=S

DOS

IR

Vibrations