Geometry & MOs

Info

ID:	180386
PubChem CID:	76625628
Reduced:	NSF3O3H14C21 (1)
Stoich.:	ABC3D3E14F21 (1)
Weight, g/mol:	306.121572
ΔH_f, kcal/mol:	-196.26
Dipole, Da:	7.08
IP(EA), eV:	-9.32(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-N-(4-methyl-1-oxo-3,4,4a,5,6,7,8,8a-octahydrobenzo[d]oxazin-6-yl)-2-oxoacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC(=C2)C(=O)NC3=CC=C(C=C3)C=CC(=O)O)C(F)(F)F

DOS

IR

Vibrations