Geometry & MOs

Info

ID:	88128
PubChem CID:	49901784
Reduced:	NSCl3O3H16C24 (1)
Stoich.:	ABC3D3E16F24 (1)
Weight, g/mol:	528.91531
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	5.15
IP(EA), eV:	-9.28(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)COC2=CC=CC=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC(=C(C=C4)Cl)Cl)Cl

DOS

IR

Vibrations