Geometry & MOs

Info

ID:	219538
PubChem CID:	85149151
Reduced:	N4O4C33H48 (1)
Stoich.:	A4B4C33D48 (1)
Weight, g/mol:	564.071127
ΔH_f, kcal/mol:	-172.34
Dipole, Da:	4.8
IP(EA), eV:	-8.66(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[1-(6-chloro-1,2-benzoxazol-3-yl)-2-methyl-5-(trifluoromethoxy)indol-3-yl]oxy-4-fluorophenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)CCCCOCCCCN2CCC(CC2)(C)OC(=O)NC3=CC=CC=C3C4=CC=CC=C4

DOS

IR

Vibrations