Geometry & MOs

Info

ID:	88415
PubChem CID:	49903364
Reduced:	NSBr2O4H15C19 (1)
Stoich.:	ABC2D4E15F19 (1)
Weight, g/mol:	650.89405
ΔH_f, kcal/mol:	-82.52
Dipole, Da:	5.9
IP(EA), eV:	-8.91(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-4-[(Z)-[3-[(2-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-ethoxyphenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)Br)OC

DOS

IR

Vibrations