Geometry & MOs

Info

ID:	311176
PubChem CID:	126589747
Reduced:	NSO3C29H29 (1)
Stoich.:	ABC3D29E29 (1)
Weight, g/mol:	472.170831
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	2.73
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[5-(1-benzofuran-4-yl)-4-(5,5-dimethylcyclopenten-1-yl)thiophen-3-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1(CCC=C1C2=C(SC=C2COC3=CC=CC(=C3)CCC(=O)O)C4=C5C=CNC5=CC=C4)C

DOS

IR

Vibrations