Geometry & MOs

Info

ID:	169723
PubChem CID:	75141459
Reduced:	ClFO2N4C23H24 (1)
Stoich.:	ABC2D4E23F24 (1)
Weight, g/mol:	420.156433
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	4.35
IP(EA), eV:	-9.55(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-(3-chlorophenyl)-1-(3-methylbutyl)-2,6-dioxo-4,5-dihydropurin-7-yl]acetate

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2C(N=CN2CC3=CC(=CC=C3)F)N(C1=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations