Geometry & MOs

Info

ID:	271232
PubChem CID:	103648919
Reduced:	SN3O4C11H13 (1)
Stoich.:	AB3C4D11E13 (1)
Weight, g/mol:	246.078662
ΔH_f, kcal/mol:	-136.92
Dipole, Da:	2.37
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(3-hydroxypropylsulfanyl)ethylamino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

COC(=O)CC1=CSC(=N1)NC(=O)[C@H]2CCC(=O)N2

DOS

IR

Vibrations