Geometry & MOs

Info

ID:	216500
PubChem CID:	85086324
Reduced:	SN2O5C10H16 (1)
Stoich.:	AB2C5D10E16 (1)
Weight, g/mol:	276.077993
ΔH_f, kcal/mol:	-222.92
Dipole, Da:	3.93
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-dihydroxypropan-2-yloxymethyl)-4a,5,7,7a-tetrahydrothieno[3,4-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CSC2C1C(=O)NC(=O)N2COC(CO)CO

DOS

IR

Vibrations