Geometry & MOs

Info

ID:	311158
PubChem CID:	126589654
Reduced:	ON3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	553.175679
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	1.3
IP(EA), eV:	-8.93(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropylsulfanyl-3-[3-[[4-(5,5-dimethylcyclopenten-1-yl)-5-(2-fluoro-5-methoxyphenyl)-1,2-thiazol-3-yl]methoxy]phenyl]propanoic acid

Drug info:

PubChemData

Smile

CCC(=C)NCC(=O)NCC(=C)N

DOS

IR

Vibrations