Geometry & MOs

Info

ID:	88176
PubChem CID:	49902172
Reduced:	BrNS2O6H20C25 (1)
Stoich.:	ABC2D6E20F25 (1)
Weight, g/mol:	513.020449
ΔH_f, kcal/mol:	-149.4
Dipole, Da:	9.45
IP(EA), eV:	-8.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(Z)-[3-[(3-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)OS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations