Geometry & MOs

Info

ID:	381812
PubChem CID:	134972645
Reduced:	FeO5C16H22 (1)
Stoich.:	AB5C16D22 (1)
Weight, g/mol:	367.16037
ΔH_f, kcal/mol:	-113.22
Dipole, Da:	3.54
IP(EA), eV:	-7.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,3-dihydro-1,4-oxazin-6-one

Drug info:

PubChemData

Smile

[CH3-].CCC[C@@H]([CH-]C(=O)OC)C1=CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe+2]

DOS

IR

Vibrations