Geometry & MOs

Info

ID:	88185
PubChem CID:	49902218
Reduced:	NBr2S2O5H15C23 (1)
Stoich.:	AB2C2D5E15F23 (1)
Weight, g/mol:	523.00891
ΔH_f, kcal/mol:	-105.86
Dipole, Da:	2.67
IP(EA), eV:	-9.32(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations