Geometry & MOs

Info

ID:	237586
PubChem CID:	92719850
Reduced:	FSN2O4H21C26 (1)
Stoich.:	ABC2D4E21F26 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-113.6
Dipole, Da:	9.82
IP(EA), eV:	-8.29(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-ethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@H]2CC3=C(C=C(C(=O)N3)C4=NC(=CS4)C5=CC(=C(C=C5)OC)F)C(=O)C2

DOS

IR

Vibrations