Geometry & MOs

Info

ID:	51251
PubChem CID:	12013893
Reduced:	FNO3H10C14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	301.077265
ΔH_f, kcal/mol:	-104.3
Dipole, Da:	3.69
IP(EA), eV:	-10.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-methylsulfanylphenyl)acetyl]-3,4-dihydropyrrolo[2,1-c][1,4]oxazin-1-one

Drug info:

PubChemData

Smile

C1COC(=O)C2=CC=C(N21)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations