Geometry & MOs

Info

ID:	190427
PubChem CID:	78003093
Reduced:	BrNOSF2C14H16 (1)
Stoich.:	ABCDE2F14G16 (1)
Weight, g/mol:	345.128883
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	3.9
IP(EA), eV:	-8.5(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5',5'-difluoro-6-(5-methylpyridin-3-yl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)N=C1CCC(C2=C1C=C(C=C2)Br)(F)F

DOS

IR

Vibrations