Geometry & MOs

Info

ID:	20388
PubChem CID:	583671
Reduced:	SN2O2C10H10 (1)
Stoich.:	AB2C2D10E10 (1)
Weight, g/mol:	222.046299
ΔH_f, kcal/mol:	10.4
Dipole, Da:	3.58
IP(EA), eV:	-9.05(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-4H-1,2,5-oxadiazine-6-thiol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=NC2)S

DOS

IR

Vibrations