Geometry & MOs

Info

ID:	86786
PubChem CID:	49889321
Reduced:	FNSI2O3H12C18 (1)
Stoich.:	ABCD2E3F12G18 (1)
Weight, g/mol:	584.04168
ΔH_f, kcal/mol:	-66.51
Dipole, Da:	2.68
IP(EA), eV:	-9.33(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1I)I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F

DOS

IR

Vibrations