Geometry & MOs

Info

ID:	147391
PubChem CID:	53787047
Reduced:	NO2C28H35 (1)
Stoich.:	AB2C28D35 (1)
Weight, g/mol:	323.062757
ΔH_f, kcal/mol:	-41.09
Dipole, Da:	2.94
IP(EA), eV:	-8.72(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-oxazol-4-yl)-(4-fluoro-3-methoxy-2-methylsulfinylphenyl)methanone

Drug info:

PubChemData

Smile

CCN(CC)CCCCOC1=CC=CC=C1C(CC2=CC=CC=C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations