Geometry & MOs

Info

ID:	192189
PubChem CID:	78239184
Reduced:	ClN2O2H23C26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	500.95784
ΔH_f, kcal/mol:	3.77
Dipole, Da:	7.8
IP(EA), eV:	-9.11(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[5-(1-benzyl-5-bromo-2-oxoindol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N(CC2C=C3C=C(C=CC3=NC2=O)C)C(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations