Geometry & MOs

Info

ID:	45672
PubChem CID:	10516399
Reduced:	NSO4C12H19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-179.84
Dipole, Da:	5.7
IP(EA), eV:	-9.59(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,6R,9aS)-4-phenyl-6-propyl-4,6,7,8,9,9a-hexahydro-3H-pyrido[2,1-c][1,4]oxazin-1-one

Drug info:

PubChemData

Smile

CCN1C(=C(C=C1C(=O)OCC)S(=O)(=O)CC)C

DOS

IR

Vibrations