Geometry & MOs

Info

ID:	87096
PubChem CID:	49891996
Reduced:	FINSO2H11C17 (1)
Stoich.:	ABCDE2F11G17 (1)
Weight, g/mol:	540.01547
ΔH_f, kcal/mol:	-45.1
Dipole, Da:	2.94
IP(EA), eV:	-9.62(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=C(C=C3)I)/SC2=O)F

DOS

IR

Vibrations