Geometry & MOs

Info

ID:	87299
PubChem CID:	49893853
Reduced:	NSBr2O3H21C26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	470.114772
ΔH_f, kcal/mol:	-37.74
Dipole, Da:	3.57
IP(EA), eV:	-9.21(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-ethoxyphenoxy]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=C(C(=C3)Br)OCC4=CC=C(C=C4)C)Br)/SC2=O

DOS

IR

Vibrations