Geometry & MOs

Info

ID:	446019
PubChem CID:	135271614
Reduced:	N7O7C24H29 (1)
Stoich.:	A7B7C24D29 (1)
Weight, g/mol:	472.207033
ΔH_f, kcal/mol:	-224.33
Dipole, Da:	3.34
IP(EA), eV:	-8.98(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolan-2-yl]methyl N-butylcarbamate

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)NCC5=CC=C(C=C5)O)CNC(=O)NCC(=O)OC)C

DOS

IR

Vibrations