Geometry & MOs

Info

ID:	88324
PubChem CID:	49902931
Reduced:	NSBr2O3H13C21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	496.99326
ΔH_f, kcal/mol:	-35.35
Dipole, Da:	2.31
IP(EA), eV:	-8.92(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C(=O)/C(=C/C4=CC(=C(C(=C4)Br)O)Br)/SC3=O

DOS

IR

Vibrations