Geometry & MOs

Info

ID:	87167
PubChem CID:	49892821
Reduced:	NSCl2O5H19C26 (1)
Stoich.:	ABC2D5E19F26 (1)
Weight, g/mol:	574.93605
ΔH_f, kcal/mol:	-130.15
Dipole, Da:	6.44
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=C(C=C(C=C4)Cl)Cl)OC

DOS

IR

Vibrations