Geometry & MOs

Info

ID:	310218
PubChem CID:	126576882
Reduced:	BrFNSO2H9C12 (1)
Stoich.:	ABCDE2F9G12 (1)
Weight, g/mol:	529.262837
ΔH_f, kcal/mol:	-71.71
Dipole, Da:	2.7
IP(EA), eV:	-9.67(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-cyclopropyl-3-[3-[(Z)-2-[4-(5,5-dimethylcyclopenten-1-yl)-3-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-5-yl]ethenyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=N1)F)C2=C(C(=CS2)C(=O)OC)Br

DOS

IR

Vibrations