Geometry & MOs

Info

ID:	444442
PubChem CID:	135262444
Reduced:	NH6C9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	472.181881
ΔH_f, kcal/mol:	89.15
Dipole, Da:	1.47
IP(EA), eV:	-8.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[(4-hydroxyphenyl)methylamino]purin-9-yl]oxolan-2-yl]methylcarbamoyl]acetamide

Drug info:

PubChemData

Smile

C1C2=C3C(=CC=C2)C4=C(N3C5=CC=CC=C51)N=CC=C4

DOS

IR

Vibrations