Geometry & MOs

Info

ID:	216054
PubChem CID:	85085639
Reduced:	SO2N4C8H10 (1)
Stoich.:	AB2C4D8E10 (1)
Weight, g/mol:	224.138559
ΔH_f, kcal/mol:	36.62
Dipole, Da:	1.36
IP(EA), eV:	-9.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-3-pent-2-enyl-5,6,7,8a-tetrahydro-1H-[1,2,4]triazolo[3,4-f][1,2,4]triazin-8-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2C(=O)NC3C(N2)NON3

DOS

IR

Vibrations