Geometry & MOs

Info

ID:	87436
PubChem CID:	49894635
Reduced:	SCl2N2O4H20C26 (1)
Stoich.:	AB2C2D4E20F26 (1)
Weight, g/mol:	460.00924
ΔH_f, kcal/mol:	-96.49
Dipole, Da:	3.51
IP(EA), eV:	-9.07(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)NC4=CC=C(C=C4)Cl)Cl)/SC2=O

DOS

IR

Vibrations