Geometry & MOs

Info

ID:	172915
PubChem CID:	75572336
Reduced:	BrN3O6H14C22 (1)
Stoich.:	AB3C6D14E22 (1)
Weight, g/mol:	460.91396
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	5.74
IP(EA), eV:	-9.64(-2.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-bromo-2-oxo-1H-indol-3-ylidene)-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=O)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Br)C(=O)NC2=O

DOS

IR

Vibrations