Geometry & MOs

Info

ID:	312119
PubChem CID:	126603298
Reduced:	SN2O3C14H24 (1)
Stoich.:	AB2C3D14E24 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-56.28
Dipole, Da:	3.77
IP(EA), eV:	-8.78(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1S)-1-(azetidin-1-yl)prop-2-enyl]-4-[1-(3-methoxyfuran-2-yl)ethyl]-3-phenylmethoxy-1,2-oxazole

Drug info:

PubChemData

Smile

CCCCOC1=NOC(=C1)[C@H](C=C)N[S@@](=O)CCCC

DOS

IR

Vibrations