Geometry & MOs

Info

ID:	87046
PubChem CID:	49891067
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	402.95139
ΔH_f, kcal/mol:	-114.38
Dipole, Da:	5.05
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4

DOS

IR

Vibrations