Geometry & MOs

Info

ID:	19872
PubChem CID:	574455
Reduced:	OSN5C6H11 (1)
Stoich.:	ABC5D6E11 (1)
Weight, g/mol:	201.068431
ΔH_f, kcal/mol:	20.17
Dipole, Da:	2.88
IP(EA), eV:	-9.67(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dimethyl-3-sulfanyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazin-6-one

Drug info:

PubChemData

Smile

CN1C2C(N=C(NN2)S)N(C1=O)C

DOS

IR

Vibrations