Geometry & MOs

Info

ID:	241075
PubChem CID:	93621559
Reduced:	OSN5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	14.14
Dipole, Da:	8.49
IP(EA), eV:	-9.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](CN1C=CN=C1)NC(=O)NC2=NC=CS2

DOS

IR

Vibrations