Geometry & MOs

Info

ID:	416051
PubChem CID:	135089056
Reduced:	ClO3N4C21H27 (1)
Stoich.:	AB3C4D21E27 (1)
Weight, g/mol:	395.124798
ΔH_f, kcal/mol:	-52.18
Dipole, Da:	6.5
IP(EA), eV:	-8.75(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]-[(3S,4S)-3,4-dihydroxypiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COCCNC1=NOC(=C1C(=O)N2CCCN3CCC[C@H]3C2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations