Geometry & MOs

Info

ID:	219419
PubChem CID:	85148636
Reduced:	NSO5C29H31 (1)
Stoich.:	ABC5D29E31 (1)
Weight, g/mol:	505.22868
ΔH_f, kcal/mol:	-133.43
Dipole, Da:	4.35
IP(EA), eV:	-8.85(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-[2-propyl-4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phenoxy]propoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)C=CC1=C(C=CC(=N1)CSCC2=CC(=CC=C2)C(=O)OC)OCCCCC3=CC=CC=C3

DOS

IR

Vibrations