Geometry & MOs

Info

ID:	136857
PubChem CID:	52113238
Reduced:	FN3O4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	219.092915
ΔH_f, kcal/mol:	-111.53
Dipole, Da:	1.45
IP(EA), eV:	-9.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-4-methylsulfonyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCC(=O)O/N=C(\C2=CC=C(C=C2)F)/N

DOS

IR

Vibrations