Geometry & MOs

Info

ID:	177423
PubChem CID:	76183841
Reduced:	O2C6H7 (6)
Stoich.:	A2B6C7 (6)
Weight, g/mol:	325.081104
ΔH_f, kcal/mol:	-497.14
Dipole, Da:	3.63
IP(EA), eV:	-9.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-5-[2-(6-pyrrol-1-ylpurin-9-yl)ethylidene]furan-2-one

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=C(C=C2)C3CC4C(C(C3C(=O)OC)(C(C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC

DOS

IR

Vibrations