Geometry & MOs

Info

ID:	88184
PubChem CID:	49902217
Reduced:	NSBr2O3H13C21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	608.87379
ΔH_f, kcal/mol:	-17.15
Dipole, Da:	4.96
IP(EA), eV:	-9.03(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations