Geometry & MOs

Info

ID:	318263
PubChem CID:	126650166
Reduced:	SF3O3N6H19C22 (1)
Stoich.:	AB3C3D6E19F22 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-125.33
Dipole, Da:	7.6
IP(EA), eV:	-8.74(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-heptyl-5H-pyrimido[4,5-b][1,4]benzoxazine

Drug info:

PubChemData

Smile

C1COC2=C([C@@H]1C3=C(C=C(C=C3)C(F)(F)F)N4NC=CN4)C=CC(=C2)S(=O)(=O)NC5=NC=NC=C5

DOS

IR

Vibrations