Geometry & MOs

Info

ID:	171127
PubChem CID:	75331189
Reduced:	NSBr3O3H12C18 (1)
Stoich.:	ABC3D3E12F18 (1)
Weight, g/mol:	691.94775
ΔH_f, kcal/mol:	-44.07
Dipole, Da:	1.6
IP(EA), eV:	-9.3(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxy-6-iodophenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)Br)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3Br

DOS

IR

Vibrations