Geometry & MOs

Info

ID:	391542
PubChem CID:	135006413
Reduced:	OSN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	213.100108
ΔH_f, kcal/mol:	-5.82
Dipole, Da:	3.79
IP(EA), eV:	-8.54(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5R)-5-(methoxymethoxy)-4a,5,6,7-tetrahydro-2H-pyrido[1,2-b]oxazin-8-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CC#N)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations