Geometry & MOs

Info

ID:	23092
PubChem CID:	601787
Reduced:	SN4O4C9H10 (1)
Stoich.:	AB4C4D9E10 (1)
Weight, g/mol:	270.042276
ΔH_f, kcal/mol:	-138.54
Dipole, Da:	3.95
IP(EA), eV:	-9.52(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-2,6-dioxo-7H-purin-8-yl)methylsulfanyl]acetic acid

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)NC1=O)NC(=N2)CSCC(=O)O

DOS

IR

Vibrations