Geometry & MOs

Info

ID:	87251
PubChem CID:	49893444
Reduced:	BrNSCl2O6H14C20 (1)
Stoich.:	ABCD2E6F14G20 (1)
Weight, g/mol:	638.9171
ΔH_f, kcal/mol:	-184.29
Dipole, Da:	4.66
IP(EA), eV:	-9.6(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(2,4-dichlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] benzoate

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=C(C=C(C=C3)Cl)Cl)Br)OCC(=O)O

DOS

IR

Vibrations