Geometry & MOs

Info

ID:	380668
PubChem CID:	134971188
Reduced:	N2O5C16H18 (1)
Stoich.:	A2B5C16D18 (1)
Weight, g/mol:	290.090272
ΔH_f, kcal/mol:	-88.59
Dipole, Da:	2.09
IP(EA), eV:	-9.22(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,7aS)-4-ethoxy-7-phenyl-4,7a-dihydro-3aH-[1,2]oxazolo[5,4-d]oxazine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCO[C@H]1[C@H]2[C@@H](C(=NO1)C3=CC=CC=C3)ON=C2C(=O)OCC

DOS

IR

Vibrations