Geometry & MOs

Info

ID:	177815
PubChem CID:	76234707
Reduced:	N4O5C21H28 (1)
Stoich.:	A4B5C21D28 (1)
Weight, g/mol:	483.248169
ΔH_f, kcal/mol:	-161.0
Dipole, Da:	11.01
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-butyl-7-ethyl-2,6-dioxo-4,5-dihydropurin-8-yl)methyl 1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)COC(=O)COC3=C(C=CC=C3C)C)C

DOS

IR

Vibrations