Geometry & MOs

Info

ID:	228293
PubChem CID:	87563830
Reduced:	O5N6C37H46 (1)
Stoich.:	A5B6C37D46 (1)
Weight, g/mol:	336.077993
ΔH_f, kcal/mol:	-147.91
Dipole, Da:	2.12
IP(EA), eV:	-8.02(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-cyano-4-propoxyphenyl)-1,2-oxazol-3-yl]methyl methanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C=O)[C@@H](CN1CCC[C@H]1C(=O)NC2=CC=C(C=C2)CN(CC3=CC=C(C=C3)NC(=O)[C@@H]4CCCN4)C5=CC=CC=C5)NC(=O)O

DOS

IR

Vibrations