Geometry & MOs

Info

ID:	30836
PubChem CID:	841989
Reduced:	SO2N3C7H9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	199.041548
ΔH_f, kcal/mol:	-40.76
Dipole, Da:	4.47
IP(EA), eV:	-9.37(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-oxolan-2-yl]-3-sulfanylidene-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)N2C(=S)NC(=O)C=N2

DOS

IR

Vibrations