Geometry & MOs

Info

ID:	88406
PubChem CID:	49903322
Reduced:	NSBr2O2H11C17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	580.06676
ΔH_f, kcal/mol:	-13.23
Dipole, Da:	2.01
IP(EA), eV:	-9.51(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-N-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=CC=CC=C3Br)/SC2=O)Br

DOS

IR

Vibrations