Geometry & MOs

Info

ID:	310725
PubChem CID:	126584620
Reduced:	FO3N4H19C22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	495.242101
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	3.49
IP(EA), eV:	-8.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cyclopropyl-3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(2-methylpropyl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoate

Drug info:

PubChemData

Smile

C1CC1N2C=C(C=N2)C3=C(C=NC=C3/C=C/C(=O)NC4=CC5=C(C=C4)OCCO5)F

DOS

IR

Vibrations