Geometry & MOs

Info

ID:	88240
PubChem CID:	49902511
Reduced:	BrClINSO4H18C25 (1)
Stoich.:	ABCDEF4G18H25 (1)
Weight, g/mol:	528.96533
ΔH_f, kcal/mol:	-56.32
Dipole, Da:	4.86
IP(EA), eV:	-8.98(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)I)OCC4=CC=CC=C4Cl

DOS

IR

Vibrations