Geometry & MOs

Info

ID:	220373
PubChem CID:	85182219
Reduced:	N5O8C20H27 (1)
Stoich.:	A5B8C20D27 (1)
Weight, g/mol:	465.215138
ΔH_f, kcal/mol:	-222.17
Dipole, Da:	7.4
IP(EA), eV:	-8.29(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-acetyl-6-(2-phenylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazin-4-yl] benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)NC(CNC(=O)CC1C(C(=C2C=CC(=C(N)N=O)C=C2)NO1)O)C(=O)O

DOS

IR

Vibrations