Geometry & MOs

Info

ID:	88426
PubChem CID:	49903487
Reduced:	BrNS2O6H18C24 (1)
Stoich.:	ABC2D6E18F24 (1)
Weight, g/mol:	551.04021
ΔH_f, kcal/mol:	-143.92
Dipole, Da:	7.54
IP(EA), eV:	-8.75(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations