Geometry & MOs

Info

ID:	216588
PubChem CID:	85086462
Reduced:	N4O4H6C13 (1)
Stoich.:	A4B4C6D13 (1)
Weight, g/mol:	284.057926
ΔH_f, kcal/mol:	70.1
Dipole, Da:	3.55
IP(EA), eV:	-10.09(-3.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-amino-2,7-dioxo-7aH-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)C2=CC3=NC(=O)C(=O)N=C3C=C2[N+](=O)[O-]

DOS

IR

Vibrations