Geometry & MOs

Info

ID:	49203
PubChem CID:	11528907
Reduced:	SF2O2N3C8H9 (1)
Stoich.:	AB2C2D3E8F9 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-139.61
Dipole, Da:	3.6
IP(EA), eV:	-9.62(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethoxy-2-propyl-3,1-benzoxazin-4-one

Drug info:

PubChemData

Smile

C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@H](S2)CO)F)N)F

DOS

IR

Vibrations