Geometry & MOs

Info

ID:	86712
PubChem CID:	49888610
Reduced:	SN2O4H20C25 (1)
Stoich.:	AB2C4D20E25 (1)
Weight, g/mol:	492.99834
ΔH_f, kcal/mol:	-67.61
Dipole, Da:	3.73
IP(EA), eV:	-8.91(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC=CC=C3OCC(=O)NC4=CC=CC=C4)/SC2=O

DOS

IR

Vibrations