Geometry & MOs

Info

ID:	187382
PubChem CID:	77567602
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	310.037191
ΔH_f, kcal/mol:	14.41
Dipole, Da:	3.1
IP(EA), eV:	-8.52(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-[4-(hydroxymethyl)-2,3-dioxocyclopentyl]-7aH-[1,3]thiazolo[4,5-d]pyrimidine-2,7-dione

Drug info:

PubChemData

Smile

CC1C2CCC(CC2NN1)NC3=NC4=C(C(=N3)NC5COC5)OC=C4

DOS

IR

Vibrations