Geometry & MOs

Info

ID:	186305
PubChem CID:	77416439
Reduced:	SN3O5C20H27 (1)
Stoich.:	AB3C5D20E27 (1)
Weight, g/mol:	296.075684
ΔH_f, kcal/mol:	-169.49
Dipole, Da:	4.02
IP(EA), eV:	-8.91(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,4-dihydroxy-5-(6-oxo-5H-purin-9-yl)oxolan-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NCC(CCCC3=C4C(=CC=C3)OCO4)N)C(=O)O)C

DOS

IR

Vibrations