Geometry & MOs

Info

ID:	322039
PubChem CID:	126668384
Reduced:	SF3N3O3H22C23 (1)
Stoich.:	AB3C3D3E22F23 (1)
Weight, g/mol:	313.06987
ΔH_f, kcal/mol:	-198.74
Dipole, Da:	8.89
IP(EA), eV:	-9.42(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-[1,3]oxazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1)C(F)(F)F)[C@H]2CCOC3=C2C=CC(=C3)S(=O)(=O)NC4=NN=CC=C4

DOS

IR

Vibrations