Geometry & MOs

Info

ID:	185973
PubChem CID:	77374568
Reduced:	ClN2O10C26H31 (1)
Stoich.:	AB2C10D26E31 (1)
Weight, g/mol:	458.191383
ΔH_f, kcal/mol:	-381.84
Dipole, Da:	3.45
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]amino]propan-2-yl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1(C2=CC=CC=C2Cl)C(=CC(=O)O)C(=O)O)C(=O)OC)C)COCCOCCN

DOS

IR

Vibrations