Geometry & MOs

Info

ID:	87885
PubChem CID:	49898344
Reduced:	NSO3H15C21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	576.90172
ΔH_f, kcal/mol:	-44.46
Dipole, Da:	1.67
IP(EA), eV:	-8.96(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dibromo-6-[(Z)-[3-(naphthalen-1-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)/C(=C/C4=CC(=CC=C4)O)/SC3=O

DOS

IR

Vibrations