Geometry & MOs

Info

ID:	18381
PubChem CID:	540047
Reduced:	SN3O8C14H17 (1)
Stoich.:	AB3C8D14E17 (1)
Weight, g/mol:	387.073636
ΔH_f, kcal/mol:	-290.96
Dipole, Da:	8.84
IP(EA), eV:	-9.4(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-diacetyloxy-5-(5-oxo-3-sulfanyl-1,2,4-triazin-2-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2C(=NC(=O)C=N2)S)OC(=O)C)OC(=O)C

DOS

IR

Vibrations