Geometry & MOs

Info

ID:	88103
PubChem CID:	49901252
Reduced:	BrNSO3H20C21 (1)
Stoich.:	ABCD3E20F21 (1)
Weight, g/mol:	419.082744
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	3.61
IP(EA), eV:	-9.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3C)Br

DOS

IR

Vibrations