Geometry & MOs

Info

ID:	87579
PubChem CID:	49895618
Reduced:	SN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	540.90172
ΔH_f, kcal/mol:	-41.5
Dipole, Da:	5.12
IP(EA), eV:	-8.28(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=C(C=C(C=C3)N4CCCC4)C)/SC2=O

DOS

IR

Vibrations