Geometry & MOs

Info

ID:	86630
PubChem CID:	49887808
Reduced:	ClSN2O6H15C24 (1)
Stoich.:	ABC2D6E15F24 (1)
Weight, g/mol:	461.94405
ΔH_f, kcal/mol:	-77.59
Dipole, Da:	1.84
IP(EA), eV:	-9.49(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-bromo-2-[(Z)-[3-[(2-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])/SC2=O)Cl

DOS

IR

Vibrations