Geometry & MOs

Info

ID:	218644
PubChem CID:	85089744
Reduced:	NSO8C24H27 (1)
Stoich.:	ABC8D24E27 (1)
Weight, g/mol:	489.160994
ΔH_f, kcal/mol:	-290.6
Dipole, Da:	6.09
IP(EA), eV:	-9.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C(CCC(=O)OCC1=CC=CC=C1)OC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations