Geometry & MOs

Info

ID:	6601
PubChem CID:	69207
Reduced:	OSN3C4H5 (1)
Stoich.:	ABC3D4E5 (1)
Weight, g/mol:	143.015333
ΔH_f, kcal/mol:	16.52
Dipole, Da:	5.77
IP(EA), eV:	-9.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-sulfanyl-2H-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

CC1=NNC(=NC1=O)S

DOS

IR

Vibrations