Geometry & MOs

Info

ID:	441968
PubChem CID:	135247225
Reduced:	F2O2N5H25C34 (1)
Stoich.:	A2B2C5D25E34 (1)
Weight, g/mol:	171.071785
ΔH_f, kcal/mol:	0.87
Dipole, Da:	4.07
IP(EA), eV:	-9.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-2,5-dimethyl-3,6-dihydrothiazine 1-oxide

Drug info:

PubChemData

Smile

COC1=CC(=NC(=N1)C2=CC3=C(C=C2)C4=C(C3(F)F)C=C(C=C4)C5=NC(N=C(N5)C6=CC=CC=C6)C7=CC=CC=C7)OC

DOS

IR

Vibrations