Geometry & MOs

Info

ID:	152525
PubChem CID:	56311477
Reduced:	S2O3N4C25H28 (1)
Stoich.:	A2B3C4D25E28 (1)
Weight, g/mol:	334.205656
ΔH_f, kcal/mol:	-56.93
Dipole, Da:	5.77
IP(EA), eV:	-8.3(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2-(4-fluoro-N-propan-2-ylanilino)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations