Geometry & MOs

Info

ID:	87519
PubChem CID:	49895181
Reduced:	NSBr2O5H19C26 (1)
Stoich.:	ABC2D5E19F26 (1)
Weight, g/mol:	497.025535
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	4.56
IP(EA), eV:	-9.34(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OC(=O)C4=CC=CC=C4Br)OC)/SC2=O

DOS

IR

Vibrations