Geometry & MOs

Info

ID:	88205
PubChem CID:	49902279
Reduced:	NCl2S2O6H17C24 (1)
Stoich.:	AB2C2D6E17F24 (1)
Weight, g/mol:	538.05619
ΔH_f, kcal/mol:	-162.28
Dipole, Da:	7.07
IP(EA), eV:	-9.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=CC=C3)Cl)OS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations