Geometry & MOs

Info

ID:	296633
PubChem CID:	117586366
Reduced:	OSN4C11H14 (1)
Stoich.:	ABC4D11E14 (1)
Weight, g/mol:	263.047696
ΔH_f, kcal/mol:	46.76
Dipole, Da:	9.54
IP(EA), eV:	-9.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[methyl(thiatriazol-5-yl)amino]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)N(C)C2=NN=NS2

DOS

IR

Vibrations