Geometry & MOs

Info

ID:	380667
PubChem CID:	134971187
Reduced:	N2O3H24C25 (1)
Stoich.:	A2B3C24D25 (1)
Weight, g/mol:	318.121572
ΔH_f, kcal/mol:	26.2
Dipole, Da:	1.38
IP(EA), eV:	-8.63(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCO[C@H]1[C@H]2[C@H]([C@H](N(O2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NO1)C5=CC=CC=C5

DOS

IR

Vibrations