Geometry & MOs

Info

ID:	21700
PubChem CID:	589578
Reduced:	S2N3O4C8H11 (1)
Stoich.:	A2B3C4D8E11 (1)
Weight, g/mol:	277.019098
ΔH_f, kcal/mol:	-97.74
Dipole, Da:	2.81
IP(EA), eV:	-8.97(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-sulfanyl-1,2,4-triazine-5-thione

Drug info:

PubChemData

Smile

C1=NN(C(=NC1=S)S)C2C(C(C(O2)CO)O)O

DOS

IR

Vibrations