Geometry & MOs

Info

ID:	55162
PubChem CID:	17389840
Reduced:	SO3N6C13H14 (1)
Stoich.:	AB3C6D13E14 (1)
Weight, g/mol:	332.105545
ΔH_f, kcal/mol:	-20.35
Dipole, Da:	7.78
IP(EA), eV:	-9.23(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-piperidin-1-ylsulfonyl-5H-[1,2,4]triazino[5,6-b]indol-3-amine

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC3=C(C=C2)NC4=C3N=NC(=N4)N

DOS

IR

Vibrations